 Entering Gaussian System, Link 0=g16
 Input=03_trispirononane_STD_LCPBE_augccpVDZ.in
 Output=03_trispirononane_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/03_trispirononane_STD/Gau-22244.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/03_trispirononane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     22245.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=03_trispirononane_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=026000
 0000,3/108=0260000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=260000000,108=260000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:02 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "03_trispirononane_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.850997000000      1.132902000000     -1.105650000000
  C                                                 1.349583000000      0.074712000000     -0.171197000000
  C                                                 0.000033000000      0.589081000000     -0.000049000000
  C                                                 2.545757000000     -0.163361000000      0.661658000000
  C                                                 2.010439000000     -1.243659000000     -0.273932000000
  C                                                -0.850800000000      1.132550000000      1.105829000000
  C                                                -1.349503000000      0.074646000000      0.171128000000
  C                                                -2.010462000000     -1.243726000000      0.273569000000
  C                                                -2.545996000000     -0.163032000000     -0.661407000000
  H                                                 1.247956000000      2.136318000000     -0.998967000000
  H                                                 0.606749000000      0.844078000000     -2.122271000000
  H                                                 2.409697000000     -0.307621000000      1.726593000000
  H                                                 3.473352000000      0.323369000000      0.386964000000
  H                                                 1.522142000000     -2.099447000000      0.175269000000
  H                                                 2.586225000000     -1.466945000000     -1.163587000000
  H                                                -0.606306000000      0.843541000000      2.122338000000
  H                                                -1.247840000000      2.135964000000      0.999440000000
  H                                                -1.522526000000     -2.099396000000     -0.176207000000
  H                                                -2.585918000000     -1.467289000000      1.163367000000
  H                                                -2.410375000000     -0.306923000000     -1.726447000000
  H                                                -3.473450000000      0.323675000000     -0.386186000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1
 NAtoms=     21 NQM=       21 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.850997    1.132902   -1.105650
      2          6           0        1.349583    0.074712   -0.171197
      3          6           0        0.000033    0.589081   -0.000049
      4          6           0        2.545757   -0.163361    0.661658
      5          6           0        2.010439   -1.243659   -0.273932
      6          6           0       -0.850800    1.132550    1.105829
      7          6           0       -1.349503    0.074646    0.171128
      8          6           0       -2.010462   -1.243726    0.273569
      9          6           0       -2.545996   -0.163032   -0.661407
     10          1           0        1.247956    2.136318   -0.998967
     11          1           0        0.606749    0.844078   -2.122271
     12          1           0        2.409697   -0.307621    1.726593
     13          1           0        3.473352    0.323369    0.386964
     14          1           0        1.522142   -2.099447    0.175269
     15          1           0        2.586225   -1.466945   -1.163587
     16          1           0       -0.606306    0.843541    2.122338
     17          1           0       -1.247840    2.135964    0.999440
     18          1           0       -1.522526   -2.099396   -0.176207
     19          1           0       -2.585918   -1.467289    1.163367
     20          1           0       -2.410375   -0.306923   -1.726447
     21          1           0       -3.473450    0.323675   -0.386186
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.497183   0.000000
     3  C    1.497409   1.454356   0.000000
     4  C    2.770539   1.476875   2.735825   0.000000
     5  C    2.772021   1.478306   2.734169   1.526086   0.000000
     6  C    2.790475   2.755268   1.497412   3.662414   3.966963
     7  C    2.755407   2.720708   1.454370   3.933232   3.636649
     8  C    3.967185   3.636757   2.734253   4.698610   4.058005
     9  C    3.662835   3.933493   2.735933   5.260841   4.698829
    10  H    1.084344   2.223904   2.224655   3.119373   3.539958
    11  H    1.084709   2.224953   2.221926   3.539060   3.121754
    12  H    3.539245   2.207176   3.097071   1.083240   2.244476
    13  H    3.124098   2.209925   3.504900   1.082957   2.243318
    14  H    3.541083   2.208344   3.094468   2.243388   1.082861
    15  H    3.126272   2.211522   3.502778   2.243321   1.082992
    16  H    3.553501   3.110772   2.221919   3.617035   4.116536
    17  H    3.137300   3.516498   2.224638   4.448862   4.864125
    18  H    4.116458   3.602191   3.094693   4.582704   3.636437
    19  H    4.870505   4.432493   3.502761   5.318461   4.821031
    20  H    3.618706   4.086775   3.097312   5.503354   4.746669
    21  H    4.457950   4.834237   3.504943   6.129114   5.704575
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.497175   0.000000
     8  C    2.772032   1.478332   0.000000
     9  C    2.770441   1.476889   1.526066   0.000000
    10  H    3.137275   3.516590   4.864292   4.449160   0.000000
    11  H    3.553631   3.111049   4.116888   3.617761   1.828344
    12  H    3.618049   4.086219   4.746091   5.502939   3.840724
    13  H    4.457559   4.834085   5.704460   6.129292   3.187472
    14  H    4.116139   3.601811   3.636099   4.582519   4.404056
    15  H    4.870397   4.432598   4.821284   5.319029   3.847281
    16  H    1.084709   2.225031   3.121904   3.539043   3.853843
    17  H    1.084343   2.223841   3.539885   3.119135   3.197285
    18  H    3.541230   2.208401   1.082844   2.243305   5.127746
    19  H    3.126197   2.211521   1.082991   2.243319   5.688608
    20  H    3.539229   2.207223   2.244459   1.083240   4.458928
    21  H    3.123889   2.209924   2.243291   1.082959   5.094394
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.403497   0.000000
    13  H    3.845102   1.823216   0.000000
    14  H    3.844603   2.530810   3.118024   0.000000
    15  H    3.190333   3.119028   2.529116   1.823422   0.000000
    16  H    4.414545   3.252393   4.463822   4.120989   5.131072
    17  H    3.854030   4.458412   5.094142   5.127452   5.688558
    18  H    4.121288   4.721598   5.580838   3.064888   4.272792
    19  H    5.131370   5.159285   6.365847   4.272250   5.671488
    20  H    3.253385   5.929298   6.283472   4.721690   5.160278
    21  H    4.464620   6.282817   6.989694   5.580564   6.366344
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.828339   0.000000
    18  H    3.844951   4.404075   0.000000
    19  H    3.190364   3.847175   1.823409   0.000000
    20  H    4.403564   3.840527   2.530707   3.119021   0.000000
    21  H    3.844928   3.187113   3.117927   2.529106   1.823206
                   21
    21  H    0.000000
 Stoichiometry    C9H12
 Framework group  C1[X(C9H12)]
 Deg. of freedom    57
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 2.86D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.850997    1.132902   -1.105650
      2          6           0        1.349583    0.074712   -0.171197
      3          6           0        0.000033    0.589081   -0.000049
      4          6           0        2.545757   -0.163361    0.661658
      5          6           0        2.010439   -1.243659   -0.273932
      6          6           0       -0.850800    1.132550    1.105829
      7          6           0       -1.349503    0.074646    0.171128
      8          6           0       -2.010462   -1.243726    0.273569
      9          6           0       -2.545996   -0.163032   -0.661407
     10          1           0        1.247956    2.136318   -0.998967
     11          1           0        0.606749    0.844078   -2.122271
     12          1           0        2.409697   -0.307621    1.726593
     13          1           0        3.473352    0.323369    0.386964
     14          1           0        1.522142   -2.099447    0.175269
     15          1           0        2.586225   -1.466945   -1.163587
     16          1           0       -0.606306    0.843541    2.122338
     17          1           0       -1.247840    2.135964    0.999440
     18          1           0       -1.522526   -2.099396   -0.176207
     19          1           0       -2.585918   -1.467289    1.163367
     20          1           0       -2.410375   -0.306923   -1.726447
     21          1           0       -3.473450    0.323675   -0.386186
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.1657619           1.1638082           1.0780134
 Leave Link  202 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20     21
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 348 were deleted.
 There are   333 symmetry adapted cartesian basis functions of A   symmetry.
 There are   315 symmetry adapted basis functions of A   symmetry.
   315 basis functions,   567 primitive gaussians,   333 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       431.2966651839 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.260000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.260000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   21 NActive=   21 NUniq=   21 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:07 2021, MaxMem=  5637144576 cpu:              23.5 elap:               4.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   315 RedAO= T EigKep=  8.09D-06  NBF=   315
 NBsUse=   315 1.00D-06 EigRej= -1.00D+00 NBFU=   315
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   333   333   333   333   333 MxSgAt=    21 MxSgA2=    21.
 Leave Link  302 at Fri Jul 16 19:14:09 2021, MaxMem=  5637144576 cpu:               5.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:09 2021, MaxMem=  5637144576 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "03_trispirononane_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:11 2021, MaxMem=  5637144576 cpu:               8.6 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636916857 LenY=  5636805527
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -348.908672063725    
 DIIS: error= 3.68D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -348.908672063725     IErMin= 1 ErrMin= 3.68D-03
 ErrMax= 3.68D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.33D-03 BMatP= 8.33D-03
 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.68D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.455 Goal=   None    Shift=    0.000
 GapD=    0.455 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.62D-02 MaxDP=6.72D-01              OVMax= 1.30D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.50D-02    CP:  1.24D+00
 E= -348.916329688349     Delta-E=       -0.007657624624 Rises=F Damp=F
 DIIS: error= 6.39D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -348.916329688349     IErMin= 2 ErrMin= 6.39D-04
 ErrMax= 6.39D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-04 BMatP= 8.33D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.39D-03
 Coeff-Com: -0.182D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.180D-01 0.102D+01
 Gap=     0.370 Goal=   None    Shift=    0.000
 RMSDP=2.27D-03 MaxDP=1.07D-01 DE=-7.66D-03 OVMax= 3.39D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.91D-04    CP:  1.27D+00  1.13D+00
 E= -348.916521168145     Delta-E=       -0.000191479795 Rises=F Damp=F
 DIIS: error= 4.27D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -348.916521168145     IErMin= 3 ErrMin= 4.27D-04
 ErrMax= 4.27D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.92D-05 BMatP= 1.79D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.27D-03
 Coeff-Com: -0.201D-01 0.371D+00 0.649D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.200D-01 0.370D+00 0.650D+00
 Gap=     0.374 Goal=   None    Shift=    0.000
 RMSDP=3.20D-04 MaxDP=1.27D-02 DE=-1.91D-04 OVMax= 1.71D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.29D-04    CP:  1.27D+00  1.14D+00  1.08D+00
 E= -348.916593519887     Delta-E=       -0.000072351742 Rises=F Damp=F
 DIIS: error= 1.00D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -348.916593519887     IErMin= 4 ErrMin= 1.00D-04
 ErrMax= 1.00D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.62D-06 BMatP= 6.92D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.00D-03
 Coeff-Com: -0.325D-02-0.218D-01 0.166D+00 0.859D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.325D-02-0.217D-01 0.166D+00 0.859D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=9.77D-05 MaxDP=4.43D-03 DE=-7.24D-05 OVMax= 5.77D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.45D-05    CP:  1.27D+00  1.15D+00  1.15D+00  1.03D+00
 E= -348.916598820379     Delta-E=       -0.000005300492 Rises=F Damp=F
 DIIS: error= 3.46D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -348.916598820379     IErMin= 5 ErrMin= 3.46D-05
 ErrMax= 3.46D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.28D-07 BMatP= 4.62D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.290D-03-0.405D-01 0.225D-01 0.367D+00 0.651D+00
 Coeff:      0.290D-03-0.405D-01 0.225D-01 0.367D+00 0.651D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=1.59D-05 MaxDP=3.27D-04 DE=-5.30D-06 OVMax= 1.59D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.27D-05    CP:  1.27D+00  1.15D+00  1.15D+00  1.05D+00  9.97D-01
 E= -348.916599516677     Delta-E=       -0.000000696298 Rises=F Damp=F
 DIIS: error= 6.31D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -348.916599516677     IErMin= 6 ErrMin= 6.31D-06
 ErrMax= 6.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-08 BMatP= 7.28D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.358D-03-0.483D-02-0.973D-02-0.815D-02 0.112D+00 0.910D+00
 Coeff:      0.358D-03-0.483D-02-0.973D-02-0.815D-02 0.112D+00 0.910D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=5.69D-06 MaxDP=3.54D-04 DE=-6.96D-07 OVMax= 5.82D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.43D-06    CP:  1.27D+00  1.15D+00  1.15D+00  1.06D+00  1.03D+00
                    CP:  1.16D+00
 E= -348.916599546655     Delta-E=       -0.000000029978 Rises=F Damp=F
 DIIS: error= 2.49D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -348.916599546655     IErMin= 7 ErrMin= 2.49D-06
 ErrMax= 2.49D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.92D-09 BMatP= 1.76D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.116D-03 0.185D-03-0.461D-02-0.205D-01 0.283D-02 0.331D+00
 Coeff-Com:  0.691D+00
 Coeff:      0.116D-03 0.185D-03-0.461D-02-0.205D-01 0.283D-02 0.331D+00
 Coeff:      0.691D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=1.67D-06 MaxDP=1.05D-04 DE=-3.00D-08 OVMax= 1.86D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.94D-07    CP:  1.27D+00  1.15D+00  1.15D+00  1.06D+00  1.03D+00
                    CP:  1.20D+00  1.16D+00
 E= -348.916599550145     Delta-E=       -0.000000003490 Rises=F Damp=F
 DIIS: error= 7.24D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -348.916599550145     IErMin= 8 ErrMin= 7.24D-07
 ErrMax= 7.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.05D-10 BMatP= 2.92D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.291D-04 0.105D-02-0.818D-04-0.688D-02-0.234D-01-0.392D-01
 Coeff-Com:  0.255D+00 0.814D+00
 Coeff:     -0.291D-04 0.105D-02-0.818D-04-0.688D-02-0.234D-01-0.392D-01
 Coeff:      0.255D+00 0.814D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=9.60D-07 MaxDP=6.25D-05 DE=-3.49D-09 OVMax= 7.42D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.66D-07    CP:  1.27D+00  1.15D+00  1.15D+00  1.06D+00  1.03D+00
                    CP:  1.22D+00  1.27D+00  9.74D-01
 E= -348.916599550709     Delta-E=       -0.000000000564 Rises=F Damp=F
 DIIS: error= 1.05D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -348.916599550709     IErMin= 9 ErrMin= 1.05D-07
 ErrMax= 1.05D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.85D-12 BMatP= 4.05D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.726D-05 0.653D-04 0.164D-03 0.711D-03-0.211D-02-0.164D-01
 Coeff-Com: -0.188D-01 0.396D-01 0.997D+00
 Coeff:     -0.726D-05 0.653D-04 0.164D-03 0.711D-03-0.211D-02-0.164D-01
 Coeff:     -0.188D-01 0.396D-01 0.997D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=1.58D-07 MaxDP=7.98D-06 DE=-5.64D-10 OVMax= 1.94D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.04D-08    CP:  1.27D+00  1.15D+00  1.15D+00  1.06D+00  1.03D+00
                    CP:  1.22D+00  1.29D+00  1.01D+00  1.13D+00
 E= -348.916599550737     Delta-E=       -0.000000000028 Rises=F Damp=F
 DIIS: error= 5.50D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -348.916599550737     IErMin=10 ErrMin= 5.50D-08
 ErrMax= 5.50D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-12 BMatP= 7.85D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.354D-06-0.571D-04 0.591D-04 0.802D-03 0.104D-02-0.233D-02
 Coeff-Com: -0.261D-01-0.509D-01 0.353D+00 0.724D+00
 Coeff:     -0.354D-06-0.571D-04 0.591D-04 0.802D-03 0.104D-02-0.233D-02
 Coeff:     -0.261D-01-0.509D-01 0.353D+00 0.724D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=3.32D-08 MaxDP=1.42D-06 DE=-2.80D-11 OVMax= 4.46D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.21D-08    CP:  1.27D+00  1.15D+00  1.15D+00  1.06D+00  1.03D+00
                    CP:  1.22D+00  1.29D+00  1.01D+00  1.17D+00  1.11D+00
 E= -348.916599550732     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 1.20D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -348.916599550737     IErMin=11 ErrMin= 1.20D-08
 ErrMax= 1.20D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-13 BMatP= 1.59D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.583D-06-0.249D-04 0.339D-05 0.191D-03 0.520D-03 0.760D-03
 Coeff-Com: -0.651D-02-0.204D-01 0.183D-01 0.228D+00 0.779D+00
 Coeff:      0.583D-06-0.249D-04 0.339D-05 0.191D-03 0.520D-03 0.760D-03
 Coeff:     -0.651D-02-0.204D-01 0.183D-01 0.228D+00 0.779D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=1.35D-08 MaxDP=7.21D-07 DE= 4.55D-12 OVMax= 1.35D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.17D-09    CP:  1.27D+00  1.15D+00  1.15D+00  1.06D+00  1.03D+00
                    CP:  1.22D+00  1.29D+00  1.01D+00  1.17D+00  1.19D+00
                    CP:  1.12D+00
 E= -348.916599550744     Delta-E=       -0.000000000012 Rises=F Damp=F
 DIIS: error= 3.05D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -348.916599550744     IErMin=12 ErrMin= 3.05D-09
 ErrMax= 3.05D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.98D-15 BMatP= 1.20D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.143D-06-0.301D-06-0.409D-05-0.283D-04 0.152D-04 0.322D-03
 Coeff-Com:  0.885D-03-0.810D-04-0.246D-01-0.130D-01 0.145D+00 0.892D+00
 Coeff:      0.143D-06-0.301D-06-0.409D-05-0.283D-04 0.152D-04 0.322D-03
 Coeff:      0.885D-03-0.810D-04-0.246D-01-0.130D-01 0.145D+00 0.892D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=5.08D-09 MaxDP=1.75D-07 DE=-1.22D-11 OVMax= 3.93D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -348.916599551     A.U. after   12 cycles
            NFock= 12  Conv=0.51D-08     -V/T= 2.0047
 KE= 3.472741825383D+02 PE=-1.671949219007D+03 EE= 5.444617717344D+02
 Leave Link  502 at Fri Jul 16 19:19:21 2021, MaxMem=  5637144576 cpu:            2474.6 elap:             309.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   315
 NBasis=   315 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    315 NOA=    33 NOB=    33 NVA=   282 NVB=   282

 **** Warning!!: The largest alpha MO coefficient is  0.76367188D+02

 Leave Link  801 at Fri Jul 16 19:19:22 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6490 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          21
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.55D-13 8.33D-09 XBig12= 1.00D+00 2.00D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.55D-13 8.33D-09 XBig12= 1.50D-01 4.21D-02.
     11 vectors produced by pass  2 Test12= 1.55D-13 8.33D-09 XBig12= 3.36D-02 2.22D-02.
     11 vectors produced by pass  3 Test12= 1.55D-13 8.33D-09 XBig12= 2.99D-03 8.18D-03.
     11 vectors produced by pass  4 Test12= 1.55D-13 8.33D-09 XBig12= 1.65D-04 1.84D-03.
     11 vectors produced by pass  5 Test12= 1.55D-13 8.33D-09 XBig12= 9.86D-06 3.51D-04.
     11 vectors produced by pass  6 Test12= 1.55D-13 8.33D-09 XBig12= 6.15D-07 1.24D-04.
     11 vectors produced by pass  7 Test12= 1.55D-13 8.33D-09 XBig12= 1.73D-08 1.89D-05.
     11 vectors produced by pass  8 Test12= 1.55D-13 8.33D-09 XBig12= 3.80D-10 2.70D-06.
     10 vectors produced by pass  9 Test12= 1.55D-13 8.33D-09 XBig12= 9.70D-12 4.06D-07.
      8 vectors produced by pass 10 Test12= 1.55D-13 8.33D-09 XBig12= 2.51D-13 7.30D-08.
      1 vectors produced by pass 11 Test12= 1.55D-13 8.33D-09 XBig12= 8.72D-15 1.48D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.20D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.122740D+03
      2 -0.383851D-03  0.998373D+02
      3  0.157439D+01  0.119499D-03  0.945060D+02
 Isotropic polarizability for W=    0.085645      105.69 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.176283D-01 -0.267469D+02 -0.395342D-02
      2   0.550919D-02 -0.817684D+01 -0.110706D-01
      3   0.121192D-01  0.349238D+02  0.150240D-01
      4  -0.289270D+02 -0.109291D-02 -0.119323D+01
      5  -0.261315D-02  0.208858D+01  0.128491D-01
      6  -0.222147D+01 -0.127743D-01  0.172136D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.811476D+01 -0.248507D-03  0.183219D+01
      2  -0.183716D-02 -0.261693D+01  0.366156D-02
      3   0.254588D+02 -0.380264D-03 -0.366173D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.328180D+01 -0.170371D-02  0.177101D+02
      2  -0.134027D-02  0.102824D+01  0.729932D-03
      3  -0.218011D+01  0.660211D-02 -0.431005D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.231888D+01  0.140918D-03 -0.488149D+01
      2   0.140918D-03  0.248357D+01  0.961804D-04
      3  -0.488149D+01  0.961804D-04  0.167140D+01
 OR G Eigenvalues:    -5.5972     2.4836     4.9497  Iso=    -0.6120
 Eigenvectors:
   (1)   0.830161  -0.000021   0.557524
   (2)   0.000018   1.000000   0.000011
   (3)  -0.557524   0.000001   0.830161
 w=    0.085645 a.u., Optical Rotation Beta=     -0.6120 au.
 Molar Mass =    120.1938 grams/mole, [Alpha] ( 5320.0 A) =     -241.50 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   49770 ScalPx= 4.49D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   49770 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.76D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.59D-14 2.78D-09 XBig12= 1.00D+00 3.95D-01.
     30 vectors produced by pass  1 Test12= 2.59D-14 2.78D-09 XBig12= 3.68D-02 2.54D-02.
     30 vectors produced by pass  2 Test12= 2.59D-14 2.78D-09 XBig12= 1.57D-03 5.10D-03.
     30 vectors produced by pass  3 Test12= 2.59D-14 2.78D-09 XBig12= 2.77D-05 7.47D-04.
     30 vectors produced by pass  4 Test12= 2.59D-14 2.78D-09 XBig12= 5.61D-07 1.59D-04.
     30 vectors produced by pass  5 Test12= 2.59D-14 2.78D-09 XBig12= 6.47D-09 1.46D-05.
     30 vectors produced by pass  6 Test12= 2.59D-14 2.78D-09 XBig12= 6.04D-11 1.04D-06.
     30 vectors produced by pass  7 Test12= 2.59D-14 2.78D-09 XBig12= 4.81D-13 6.82D-08.
     14 vectors produced by pass  8 Test12= 2.59D-14 2.78D-09 XBig12= 6.82D-15 1.00D-08.
      5 vectors produced by pass  9 Test12= 2.59D-14 2.78D-09 XBig12= 1.52D-14 1.73D-08.
      1 vectors produced by pass 10 Test12= 2.59D-14 2.78D-09 XBig12= 2.22D-15 5.14D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   260 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   49770 ScalPx= 2.66D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   49770 ScalPx= 2.66D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   49770 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.60D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.122740D+03 -0.383851D-03  0.157439D+01
      2  -0.383851D-03  0.998373D+02  0.119499D-03
      3   0.157439D+01  0.119499D-03  0.945060D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.811476D+01 -0.248507D-03  0.183219D+01
      2  -0.183716D-02 -0.261693D+01  0.366156D-02
      3   0.254588D+02 -0.380264D-03 -0.366173D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.176283D-01 -0.267469D+02 -0.395342D-02
      2   0.550919D-02 -0.817684D+01 -0.110706D-01
      3   0.121192D-01  0.349238D+02  0.150240D-01
      4  -0.289270D+02 -0.109291D-02 -0.119323D+01
      5  -0.261315D-02  0.208858D+01  0.128491D-01
      6  -0.222147D+01 -0.127743D-01  0.172136D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.333998D+01  0.307213D+01 -0.525404D+01 -0.111676D+01 -0.329172D+01
      2   0.307213D+01 -0.434180D+01  0.972091D+00 -0.329172D+01 -0.269294D+01
      3  -0.525404D+01  0.972091D+00  0.275335D+01  0.192165D+01 -0.115507D+01
                 6             7             8             9            10 
      1   0.192165D+01 -0.186950D+01 -0.113019D+01  0.181957D+01  0.145686D+00
      2  -0.115507D+01 -0.113019D+01 -0.246154D+01  0.210057D+01  0.679223D+00
      3   0.311365D+01  0.181957D+01  0.210057D+01  0.294433D+01 -0.130667D+01
                11            12            13            14            15 
      1   0.679223D+00 -0.130667D+01  0.227732D+01 -0.875582D+00 -0.290696D+01
      2   0.186274D+00  0.766953D+00 -0.875582D+00  0.106246D+01  0.110809D+01
      3   0.766953D+00 -0.132168D+00 -0.290696D+01  0.110809D+01 -0.135816D+01
                16            17            18            19            20 
      1  -0.506717D+01 -0.106786D+01  0.134899D+01 -0.110410D-02 -0.587004D+00
      2  -0.106786D+01  0.294968D+01 -0.980393D+00 -0.587004D+00  0.161913D-03
      3   0.134899D+01 -0.980393D+00  0.286270D-01 -0.552210D-04 -0.240295D+00
                21            22            23            24            25 
      1  -0.552210D-04  0.176440D+01 -0.174849D-02  0.339881D+01  0.690141D-03
      2  -0.240295D+00 -0.174849D-02  0.768236D+00  0.222126D-04  0.490403D+01
      3   0.243829D-04  0.339881D+01  0.222126D-04 -0.219901D+01  0.201813D-02
                26            27            28            29            30 
      1   0.490403D+01  0.201813D-02  0.197759D+00 -0.347892D+01  0.293547D+01
      2   0.293795D-03 -0.891992D+00 -0.347892D+01 -0.396938D+00 -0.469726D+00
      3  -0.891992D+00 -0.119513D-02  0.293547D+01 -0.469726D+00  0.195292D+01
                31            32            33            34            35 
      1  -0.577850D+01  0.228857D+01 -0.208697D+00  0.424151D+01  0.134103D+01
      2   0.228857D+01  0.222422D+01  0.310781D+01  0.134103D+01  0.187555D+01
      3  -0.208697D+00  0.310781D+01  0.247812D+01  0.628198D+00  0.152361D+01
                36            37            38            39            40 
      1   0.628198D+00  0.119037D+01 -0.278117D+01  0.724967D+00 -0.202740D+01
      2   0.152361D+01 -0.278117D+01  0.292521D+01 -0.336546D+01  0.248529D+01
      3  -0.334516D+01  0.724967D+00 -0.336546D+01 -0.349472D+01 -0.104208D+01
                41            42            43            44            45 
      1   0.248529D+01 -0.104208D+01  0.240109D+01 -0.412158D+01 -0.276635D+01
      2  -0.164403D+01 -0.211891D+01 -0.412158D+01 -0.222172D+01  0.451563D-01
      3  -0.211891D+01 -0.363707D+00 -0.276635D+01  0.451563D-01  0.654790D+00
                46            47            48            49            50 
      1  -0.333923D+01  0.306959D+01  0.525368D+01 -0.111704D+01  0.329231D+01
      2   0.306959D+01  0.434122D+01  0.973428D+00  0.329231D+01 -0.269408D+01
      3   0.525368D+01  0.973428D+00 -0.275538D+01  0.192342D+01  0.115241D+01
                51            52            53            54            55 
      1   0.192342D+01  0.186784D+01 -0.112939D+01 -0.182203D+01 -0.140281D+00
      2   0.115241D+01 -0.112939D+01  0.245877D+01  0.210155D+01  0.679400D+00
      3   0.311353D+01 -0.182203D+01  0.210155D+01 -0.294093D+01  0.130710D+01
                56            57            58            59            60 
      1   0.679400D+00  0.130710D+01  0.227568D+01  0.876916D+00 -0.290630D+01
      2  -0.187104D+00  0.766539D+00  0.876916D+00  0.106510D+01 -0.110652D+01
      3   0.766539D+00  0.132469D+00 -0.290630D+01 -0.110652D+01 -0.135798D+01
                61            62            63            64            65 
      1   0.506793D+01 -0.106769D+01 -0.135100D+01 -0.119211D+01 -0.278471D+01
      2  -0.106769D+01 -0.294840D+01 -0.981972D+00 -0.278471D+01 -0.292151D+01
      3  -0.135100D+01 -0.981972D+00 -0.297449D-01 -0.724113D+00 -0.336703D+01
                66            67            68            69            70 
      1  -0.724113D+00 -0.202901D+01 -0.248224D+01 -0.104349D+01 -0.240022D+01
      2  -0.336703D+01 -0.248224D+01 -0.164604D+01  0.211983D+01 -0.412231D+01
      3   0.349174D+01 -0.104349D+01  0.211983D+01 -0.360932D+00  0.276436D+01
                71            72            73            74            75 
      1  -0.412231D+01  0.276436D+01 -0.204263D+00 -0.347795D+01 -0.293776D+01
      2   0.222290D+01  0.495091D-01 -0.347795D+01  0.397795D+00 -0.467429D+00
      3   0.495091D-01 -0.658554D+00 -0.293776D+01 -0.467429D+00 -0.194984D+01
                76            77            78            79            80 
      1  -0.577691D+01 -0.228922D+01 -0.207127D+00 -0.424411D+01  0.134270D+01
      2  -0.228922D+01  0.222705D+01 -0.310787D+01  0.134270D+01 -0.187601D+01
      3  -0.207127D+00 -0.310787D+01  0.247471D+01 -0.623818D+00  0.152085D+01
                81            82            83            84            85 
      1  -0.623818D+00  0.168793D+01  0.149450D+01 -0.190971D+00  0.307787D+01
      2   0.152085D+01  0.149450D+01  0.330147D+01 -0.849224D+00  0.296237D+01
      3   0.334913D+01 -0.190971D+00 -0.849224D+00  0.418006D+00 -0.963107D+00
                86            87            88            89            90 
      1   0.296237D+01 -0.963107D+00  0.100401D+01 -0.113775D-01  0.207154D+00
      2   0.955481D+01 -0.211725D+01 -0.113775D-01  0.472317D+00  0.112464D+01
      3  -0.211725D+01  0.188199D+01  0.207154D+00  0.112464D+01 -0.122869D+01
                91            92            93            94            95 
      1  -0.950698D+00 -0.678077D-01 -0.265040D+00 -0.998169D+00  0.562818D+00
      2  -0.678077D-01  0.181154D+00  0.426058D-01  0.562818D+00  0.458866D+00
      3  -0.265040D+00  0.426058D-01 -0.171447D+01 -0.279340D+00 -0.108731D+01
                96            97            98            99           100 
      1  -0.279340D+00 -0.185290D+01  0.755479D-01 -0.207383D+00  0.876060D+00
      2  -0.108731D+01  0.755479D-01 -0.167533D+01  0.111323D+01  0.618640D+00
      3  -0.186043D+01 -0.207383D+00  0.111323D+01 -0.101335D+02  0.715799D+00
               101           102           103           104           105 
      1   0.618640D+00  0.715799D+00  0.587076D+00  0.297469D+00  0.164899D+00
      2  -0.244049D+00  0.272608D+00  0.297469D+00 -0.590983D+00  0.537543D+00
      3   0.272608D+00 -0.458675D+00  0.164899D+00  0.537543D+00 -0.102859D+01
               106           107           108           109           110 
      1   0.267466D+01 -0.345220D+00  0.268593D+01  0.105369D+02  0.274267D+01
      2  -0.345220D+00  0.129809D+01 -0.695660D+00  0.274267D+01  0.192789D+01
      3   0.268593D+01 -0.695660D+00  0.927860D+01  0.541526D+00  0.195367D+00
               111           112           113           114           115 
      1   0.541526D+00  0.516048D+01  0.185300D+01  0.259788D+00 -0.208855D+01
      2   0.195367D+00  0.185300D+01  0.137756D+01 -0.171427D+00 -0.373604D+00
      3   0.121367D+01  0.259788D+00 -0.171427D+00  0.645704D+00  0.136012D+01
               116           117           118           119           120 
      1  -0.373604D+00  0.136012D+01 -0.108580D+01 -0.486881D+00  0.398890D-01
      2  -0.916345D+00  0.220011D+00 -0.486881D+00 -0.286889D+01  0.947061D+00
      3   0.220011D+00  0.476617D+00  0.398890D-01  0.947061D+00 -0.329380D+00
               121           122           123           124           125 
      1  -0.143754D+01 -0.343526D+00  0.390007D+00  0.827456D+00  0.735466D+00
      2  -0.343526D+00 -0.763051D+01  0.100489D+01  0.735466D+00  0.235460D+01
      3   0.390007D+00  0.100489D+01 -0.134641D+01  0.344378D+00 -0.144597D+01
               126           127           128           129           130 
      1   0.344378D+00  0.336660D+01 -0.149784D+01 -0.209572D+01 -0.625861D+00
      2  -0.144597D+01 -0.149784D+01  0.139296D+01  0.160777D+01  0.114922D+01
      3   0.881362D+00 -0.209572D+01  0.160777D+01  0.280169D+01  0.963945D+00
               131           132           133           134           135 
      1   0.114922D+01  0.963945D+00 -0.414091D+01  0.244547D+01  0.333787D+01
      2  -0.250318D+01 -0.134259D+01  0.244547D+01 -0.273580D+01 -0.255884D+01
      3  -0.134259D+01 -0.106273D+01  0.333787D+01 -0.255884D+01 -0.517276D+01
               136           137           138           139           140 
      1   0.951969D+00 -0.677918D-01  0.265136D+00 -0.998658D+00 -0.562568D+00
      2  -0.677918D-01 -0.180676D+00  0.425227D-01 -0.562568D+00  0.458129D+00
      3   0.265136D+00  0.425227D-01  0.171659D+01 -0.279801D+00  0.108766D+01
               141           142           143           144           145 
      1  -0.279801D+00  0.185276D+01  0.756023D-01  0.209413D+00 -0.168849D+01
      2   0.108766D+01  0.756023D-01  0.167489D+01  0.111152D+01  0.149450D+01
      3  -0.186138D+01  0.209413D+00  0.111152D+01  0.101321D+02  0.191536D+00
               146           147           148           149           150 
      1   0.149450D+01  0.191536D+00  0.307815D+01 -0.296198D+01 -0.963726D+00
      2  -0.330137D+01 -0.849945D+00 -0.296198D+01  0.955264D+01  0.211871D+01
      3  -0.849945D+00 -0.418408D+00 -0.963726D+00  0.211871D+01  0.188264D+01
               151           152           153           154           155 
      1  -0.100284D+01 -0.119104D-01 -0.207097D+00  0.108443D+01 -0.485837D+00
      2  -0.119104D-01 -0.470052D+00  0.112472D+01 -0.485837D+00  0.286598D+01
      3  -0.207097D+00  0.112472D+01  0.122956D+01 -0.403056D-01  0.947886D+00
               156           157           158           159           160 
      1  -0.403056D-01 -0.143688D+01  0.341643D+00  0.390119D+00 -0.828644D+00
      2   0.947886D+00  0.341643D+00 -0.762981D+01 -0.100794D+01  0.735045D+00
      3   0.329728D+00  0.390119D+00 -0.100794D+01 -0.134733D+01 -0.344186D+00
               161           162           163           164           165 
      1   0.735045D+00 -0.344186D+00 -0.336316D+01 -0.149686D+01  0.209398D+01
      2  -0.235859D+01 -0.144794D+01 -0.149686D+01 -0.139305D+01  0.160780D+01
      3  -0.144794D+01 -0.883468D+00  0.209398D+01  0.160780D+01 -0.279971D+01
               166           167           168           169           170 
      1  -0.626370D+00 -0.114993D+01  0.964420D+00  0.413979D+01  0.244588D+01
      2  -0.114993D+01 -0.250494D+01  0.134302D+01  0.244588D+01  0.273713D+01
      3   0.964420D+00  0.134302D+01 -0.106384D+01 -0.333657D+01 -0.256025D+01
               171           172           173           174           175 
      1  -0.333657D+01 -0.877572D+00  0.618908D+00 -0.716173D+00  0.588023D+00
      2  -0.256025D+01  0.618908D+00  0.243285D+00  0.272149D+00 -0.297787D+00
      3   0.517340D+01 -0.716173D+00  0.272149D+00  0.455918D+00  0.165118D+00
               176           177           178           179           180 
      1  -0.297787D+00  0.165118D+00 -0.267600D+01 -0.344772D+00 -0.268888D+01
      2  -0.590157D+00 -0.537270D+00 -0.344772D+00 -0.129792D+01 -0.693055D+00
      3  -0.537270D+00 -0.102584D+01 -0.268888D+01 -0.693055D+00 -0.927938D+01
               181           182           183           184           185 
      1  -0.105349D+02  0.274322D+01 -0.538239D+00  0.516009D+01 -0.185329D+01
      2   0.274322D+01 -0.192802D+01  0.194320D+00 -0.185329D+01  0.137760D+01
      3  -0.538239D+00  0.194320D+00 -0.121336D+01  0.258460D+00  0.172175D+00
               186           187           188           189 
      1   0.258460D+00  0.209311D+01 -0.374865D+00 -0.136069D+01
      2   0.172175D+00 -0.374865D+00  0.917486D+00  0.220705D+00
      3   0.646004D+00 -0.136069D+01  0.220705D+00 -0.475069D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.391896D+01  0.488630D+01 -0.621827D+01  0.515286D+01  0.846072D+01
      2  -0.203180D+01  0.207710D+01  0.228064D+01  0.412816D+01 -0.718392D+01
      3  -0.453863D-01  0.369175D+01 -0.632004D+01  0.585465D+01 -0.237903D+01
                 6             7             8             9            10 
      1  -0.772196D+01 -0.329863D+01  0.393569D+01 -0.970440D+01 -0.219237D+00
      2   0.535003D+01 -0.478118D+01  0.193901D+01  0.628578D+01 -0.702286D+00
      3   0.315947D+01 -0.557194D+01  0.225305D+01  0.108712D+01  0.485355D+01
                11            12            13            14            15 
      1   0.816271D+00  0.225796D+01 -0.236787D+01  0.899626D+00 -0.386079D+01
      2  -0.267426D+00  0.376559D+01 -0.221191D+01  0.205967D+01 -0.495378D+01
      3  -0.786521D+01  0.140261D+00  0.124885D+02 -0.360910D+01 -0.153347D+01
                16            17            18            19            20 
      1  -0.717182D+01  0.434760D+01 -0.844460D-01  0.138986D-02 -0.192451D+01
      2  -0.923714D+01  0.237265D+01 -0.259897D+00 -0.392278D+01 -0.868626D-03
      3  -0.316647D+00 -0.595871D+01  0.282194D+01 -0.574811D-03 -0.503929D+01
                21            22            23            24            25 
      1  -0.451412D-04  0.356333D+01 -0.326261D-03 -0.105660D+01 -0.976525D-03
      2   0.617104D+01 -0.260177D-03 -0.498342D+00  0.279666D-03 -0.136307D+02
      3   0.241555D-03  0.140765D+02 -0.266465D-02 -0.783639D+00  0.502204D-03
                26            27            28            29            30 
      1   0.323793D+01  0.168234D-02 -0.363173D+01  0.113581D+01  0.275187D+00
      2  -0.521149D-03  0.158365D+01  0.128098D+02  0.242148D+01  0.836072D+01
      3   0.515149D+01  0.204463D-02  0.926181D+01 -0.244994D+01  0.650469D+00
                31            32            33            34            35 
      1  -0.151843D+01  0.382232D+01  0.459072D+00  0.250623D+01  0.489673D+01
      2   0.435817D+01  0.930101D+01  0.785570D+01 -0.549564D+01  0.372862D+01
      3  -0.250588D+01 -0.838972D+01 -0.901589D+01 -0.310965D+01 -0.831525D+01
                36            37            38            39            40 
      1   0.285825D+01  0.170810D+01 -0.807055D+01 -0.404860D+01 -0.474905D+01
      2  -0.127914D+02 -0.601749D+00 -0.727345D+01 -0.565496D+01 -0.439471D+01
      3  -0.627371D+01  0.748727D+01 -0.846422D+01  0.710647D+01  0.758605D+00
                41            42            43            44            45 
      1  -0.493171D+01 -0.295400D+01 -0.585151D+01  0.617105D+01  0.146529D+01
      2  -0.352097D+01 -0.245161D+01 -0.718071D+01 -0.171138D+01 -0.375276D+00
      3  -0.790093D+00  0.937936D+01  0.842067D+01  0.129911D+02  0.644564D+01
                46            47            48            49            50 
      1  -0.392050D+01  0.488522D+01  0.622318D+01  0.515202D+01 -0.845888D+01
      2  -0.203169D+01 -0.207617D+01  0.228227D+01 -0.412772D+01 -0.718188D+01
      3   0.447691D-01  0.368740D+01  0.632005D+01  0.585099D+01  0.237729D+01
                51            52            53            54            55 
      1  -0.772507D+01  0.330595D+01  0.393026D+01  0.969892D+01  0.219293D+00
      2  -0.535188D+01 -0.477804D+01 -0.194218D+01  0.628444D+01 -0.702978D+00
      3   0.315869D+01  0.557053D+01  0.225226D+01 -0.108943D+01 -0.485248D+01
                56            57            58            59            60 
      1   0.815605D+00 -0.225823D+01 -0.236952D+01 -0.899958D+00 -0.386025D+01
      2   0.267899D+00  0.376571D+01  0.221159D+01  0.205730D+01  0.495326D+01
      3  -0.786566D+01 -0.140432D+00  0.124895D+02  0.361383D+01 -0.152968D+01
                61            62            63            64            65 
      1   0.717150D+01  0.434672D+01  0.857560D-01 -0.170514D+01 -0.806931D+01
      2  -0.923579D+01 -0.236977D+01 -0.258397D+00 -0.602256D+00  0.727883D+01
      3   0.317841D+00 -0.595678D+01 -0.282515D+01 -0.749458D+01 -0.844853D+01
                66            67            68            69            70 
      1   0.404518D+01 -0.474823D+01  0.493315D+01 -0.294760D+01  0.584977D+01
      2  -0.564898D+01  0.439770D+01 -0.352621D+01  0.244488D+01 -0.717642D+01
      3  -0.711393D+01  0.772878D+00  0.778274D+00  0.938609D+01 -0.842445D+01
                71            72            73            74            75 
      1   0.617963D+01 -0.146916D+01  0.362993D+01  0.113517D+01 -0.276244D+00
      2   0.169954D+01 -0.363900D+00  0.128121D+02 -0.242766D+01  0.834889D+01
      3   0.129978D+02 -0.643128D+01 -0.925921D+01 -0.245107D+01 -0.643532D+00
                76            77            78            79            80 
      1  -0.151764D+01 -0.382241D+01  0.456809D+00 -0.250851D+01  0.489416D+01
      2  -0.436151D+01  0.930153D+01 -0.784405D+01 -0.551194D+01 -0.371700D+01
      3  -0.250983D+01  0.840096D+01 -0.901808D+01  0.311291D+01 -0.831694D+01
                81            82            83            84            85 
      1  -0.285541D+01 -0.246463D+01 -0.367765D+01 -0.356431D+00 -0.247604D+01
      2  -0.128012D+02  0.193258D+01  0.935420D+00  0.111620D+01  0.284251D+01
      3   0.626397D+01  0.131531D+01 -0.330705D+01  0.867262D+00  0.466298D+01
                86            87            88            89            90 
      1  -0.109028D+02 -0.243664D+01 -0.318062D+00 -0.125074D+01  0.401638D+00
      2   0.168521D+01  0.158988D+01 -0.250777D+00  0.120764D+01 -0.944939D+00
      3  -0.464919D+01  0.541529D+00  0.132459D+01 -0.145723D+00 -0.700049D+00
                91            92            93            94            95 
      1   0.152389D+01  0.169447D-01  0.306631D+01 -0.364507D+00  0.135653D+01
      2  -0.286602D+01 -0.388624D+00 -0.914293D+00 -0.195308D+01 -0.615885D+00
      3  -0.826640D+00 -0.467253D+00 -0.377057D+00 -0.393977D+00  0.688663D-01
                96            97            98            99           100 
      1   0.311010D+01  0.352477D+00  0.376596D+01  0.135425D+02  0.105877D+01
      2  -0.273232D+01 -0.620884D+01  0.112414D+01 -0.108079D+02  0.244007D+01
      3   0.402887D+00 -0.259713D+01  0.123378D+01 -0.146215D+01 -0.140924D+01
               101           102           103           104           105 
      1  -0.685574D-01  0.315414D+00  0.911422D-01 -0.780911D+00 -0.790045D+00
      2   0.228987D+00 -0.137902D+01 -0.422489D+00  0.156605D+01 -0.330440D+01
      3  -0.156543D+00 -0.107614D+01 -0.242257D+00  0.153356D+01 -0.124719D+01
               106           107           108           109           110 
      1   0.284127D-01  0.424444D+01  0.127051D+01  0.331532D+01  0.184375D+01
      2   0.223603D+01 -0.177279D+01  0.262538D+02 -0.671084D+01 -0.143539D+01
      3   0.759688D+00 -0.407581D+01  0.185215D+01 -0.807193D+01 -0.888943D+01
               111           112           113           114           115 
      1  -0.660835D+00  0.214874D+01  0.126149D+01 -0.110513D+01 -0.459960D+00
      2   0.596203D+01 -0.282596D+01 -0.207820D+01  0.266203D+01  0.440704D+01
      3  -0.757006D+00 -0.314097D+01 -0.443180D+01  0.568463D+00  0.887117D+00
               116           117           118           119           120 
      1   0.351776D+00  0.683860D+00  0.914171D+00  0.271552D+01 -0.178477D+01
      2   0.116182D+01  0.379056D+00  0.567883D+00  0.132435D+01 -0.159014D+00
      3   0.273850D+01 -0.620622D+00  0.524458D+01  0.783891D+01 -0.297725D+01
               121           122           123           124           125 
      1   0.623211D+00  0.439537D+01 -0.521172D+01  0.411737D+00 -0.234518D+01
      2   0.569153D+00  0.170992D+01 -0.212517D+01 -0.226460D+00 -0.281789D+01
      3   0.627236D+01  0.201627D+02 -0.333839D+01 -0.390946D+01 -0.748126D+01
               126           127           128           129           130 
      1   0.254335D+01 -0.330466D+01  0.136428D+01  0.458549D+01  0.128492D+01
      2   0.139317D+01 -0.248133D+01  0.339296D+01  0.716189D+01  0.156239D+01
      3   0.349943D+01 -0.158892D+01 -0.237029D+01 -0.110386D+01 -0.107639D+00
               131           132           133           134           135 
      1  -0.717432D+00 -0.258570D+01  0.421374D+01 -0.775692D+00 -0.792362D+01
      2  -0.267310D+01 -0.258402D+01  0.286821D+01 -0.433047D+01 -0.103177D+02
      3   0.506190D+01  0.186737D+01  0.463005D+00  0.418392D+01  0.140011D+01
               136           137           138           139           140 
      1  -0.152481D+01  0.188386D-01 -0.306903D+01 -0.363528D+00 -0.135790D+01
      2  -0.286952D+01  0.388686D+00 -0.916405D+00  0.195518D+01 -0.616480D+00
      3   0.827660D+00 -0.466719D+00  0.377387D+00 -0.393778D+00 -0.692076D-01
               141           142           143           144           145 
      1   0.311142D+01 -0.355465D+00  0.376862D+01 -0.135381D+02  0.246461D+01
      2   0.273370D+01 -0.621190D+01 -0.112210D+01 -0.108069D+02  0.193327D+01
      3   0.402363D+00  0.259565D+01  0.123219D+01  0.146238D+01 -0.131575D+01
               146           147           148           149           150 
      1  -0.367816D+01  0.355657D+00 -0.247551D+01  0.109014D+02 -0.243385D+01
      2  -0.935103D+00  0.111593D+01 -0.284351D+01  0.168518D+01 -0.158925D+01
      3  -0.330666D+01 -0.867578D+00  0.466271D+01  0.464633D+01  0.541538D+00
               151           152           153           154           155 
      1   0.316817D+00 -0.124721D+01 -0.402468D+00 -0.914031D+00  0.271384D+01
      2  -0.252039D+00 -0.120692D+01 -0.945780D+00  0.570467D+00 -0.132698D+01
      3  -0.132329D+01 -0.144284D+00  0.700237D+00 -0.523767D+01  0.782938D+01
               156           157           158           159           160 
      1   0.178444D+01  0.622627D+00 -0.439531D+01 -0.521393D+01 -0.411820D+00
      2  -0.160333D+00 -0.571574D+00  0.171774D+01  0.212822D+01 -0.227828D+00
      3   0.298011D+01  0.626593D+01 -0.201579D+02 -0.334670D+01  0.391135D+01
               161           162           163           164           165 
      1  -0.234854D+01 -0.254813D+01  0.330292D+01  0.136573D+01 -0.458340D+01
      2   0.282288D+01  0.139742D+01 -0.248068D+01 -0.339418D+01  0.715815D+01
      3  -0.749105D+01 -0.350533D+01  0.158696D+01 -0.237122D+01  0.110657D+01
               166           167           168           169           170 
      1   0.128590D+01  0.718340D+00 -0.258839D+01 -0.421335D+01 -0.778762D+00
      2  -0.156273D+01 -0.267380D+01  0.258639D+01  0.286695D+01  0.433399D+01
      3  -0.108172D+00 -0.506501D+01  0.186743D+01 -0.461475D+00  0.418540D+01
               171           172           173           174           175 
      1   0.792649D+01 -0.105844D+01 -0.667744D-01 -0.315757D+00  0.912704D-01
      2  -0.103206D+02  0.243864D+01 -0.227695D+00 -0.137031D+01  0.423047D+00
      3  -0.140454D+01  0.141070D+01 -0.158996D+00  0.107468D+01 -0.243103D+00
               176           177           178           179           180 
      1   0.779561D+00 -0.789195D+00 -0.285937D-01  0.424452D+01 -0.126801D+01
      2   0.156485D+01  0.329638D+01  0.224561D+01  0.176572D+01  0.262566D+02
      3  -0.153152D+01 -0.124623D+01 -0.760265D+00 -0.407654D+01 -0.184499D+01
               181           182           183           184           185 
      1  -0.331420D+01  0.184224D+01  0.662805D+00  0.214839D+01 -0.126092D+01
      2  -0.671499D+01  0.143790D+01  0.596384D+01  0.282754D+01 -0.207968D+01
      3   0.806996D+01 -0.888939D+01  0.753270D+00 -0.314018D+01  0.443135D+01
               186           187           188           189 
      1  -0.110611D+01  0.461862D+00  0.351065D+00 -0.684494D+00
      2  -0.266426D+01  0.441173D+01 -0.116478D+01  0.373457D+00
      3   0.570563D+00 -0.889538D+00  0.274287D+01  0.622220D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.745051D+01  0.150220D+02 -0.504766D+01  0.652333D+01 -0.219077D+01
      2  -0.200328D+01 -0.183423D+02  0.123787D+02 -0.106104D+02 -0.152191D+02
      3   0.945380D+01  0.332039D+01 -0.733104D+01  0.408710D+01  0.174099D+02
      4   0.663386D+01 -0.456388D+01 -0.394119D+01 -0.824835D+01 -0.172061D+02
      5  -0.140888D+02 -0.246120D+01  0.134039D+02  0.128717D+01  0.329822D+01
      6  -0.153086D+02  0.805442D+01  0.216491D+01  0.939173D+01  0.336378D+00
                 6             7             8             9            10 
      1   0.904819D+01  0.810798D+00  0.561134D+01  0.105274D+02  0.177997D+01
      2   0.118930D+01  0.424794D+01 -0.301832D+01  0.123331D+02 -0.275856D+01
      3  -0.102375D+02 -0.505874D+01 -0.259302D+01 -0.228604D+02  0.978585D+00
      4   0.146237D+01 -0.684690D+01 -0.344910D+01  0.725744D+01  0.380896D+01
      5   0.298386D+01  0.998717D+01  0.513600D+01 -0.287351D+01 -0.119858D+02
      6   0.709656D+01  0.482884D+01  0.745726D+01 -0.400057D+01  0.209599D+01
                11            12            13            14            15 
      1   0.204156D+00 -0.534691D+01 -0.110700D+01 -0.152543D+01 -0.534938D+01
      2   0.257776D+01  0.179902D+01  0.424434D+01 -0.203361D+00  0.199574D+01
      3  -0.278191D+01  0.354789D+01 -0.313734D+01  0.172879D+01  0.335364D+01
      4  -0.117361D+01  0.469047D+01 -0.609034D+01  0.823128D+01  0.205791D+01
      5   0.620303D+01 -0.997388D+00 -0.193533D+01  0.448182D+00 -0.261650D+01
      6  -0.208814D+01  0.155185D+01 -0.414166D+01  0.173908D+01 -0.107695D-01
                16            17            18            19            20 
      1  -0.106931D+02 -0.309506D+01 -0.575664D+00 -0.442613D+01 -0.203786D-02
      2   0.546290D+01  0.213236D+01 -0.263657D+01  0.694926D+01 -0.147670D-03
      3   0.523019D+01  0.962699D+00  0.321223D+01 -0.252312D+01  0.218553D-02
      4   0.160634D+01  0.607314D+01 -0.202652D+01 -0.359903D-02 -0.213998D+00
      5  -0.530528D+00 -0.137248D+01  0.140297D+00  0.136277D+02  0.955276D-03
      6   0.481852D+01 -0.748339D+00  0.137479D+01  0.288568D-02  0.231963D+01
                21            22            23            24            25 
      1   0.215682D+01 -0.139702D-02 -0.128588D+01  0.232707D-02 -0.380723D+01
      2  -0.365202D+01 -0.162844D-02  0.380540D+01 -0.141278D-02  0.155976D-01
      3   0.149520D+01  0.302546D-02 -0.251952D+01 -0.914282D-03  0.379164D+01
      4   0.172258D-02 -0.277017D+01  0.200298D-02  0.198143D+00  0.471620D-02
      5  -0.873911D+01  0.562358D-02  0.167344D+00  0.517296D-03 -0.149767D+02
      6   0.518301D-04  0.704512D+01  0.197750D-03 -0.229017D+01  0.100148D-02
                26            27            28            29            30 
      1  -0.324678D-03 -0.384352D+01 -0.109306D+02 -0.191588D+02  0.154926D+02
      2   0.102009D-02  0.167576D+01  0.111427D+01  0.877981D+01 -0.876357D+01
      3  -0.695412D-03  0.216776D+01  0.981632D+01  0.103790D+02 -0.672907D+01
      4   0.719642D+00 -0.484068D-03 -0.251572D+02 -0.194405D+01 -0.431515D+01
      5  -0.775271D-03  0.470186D+01  0.211105D+02 -0.482082D+01  0.133040D+02
      6  -0.137093D+01 -0.155701D-02 -0.570792D+01  0.635222D+00 -0.323413D+01
                31            32            33            34            35 
      1  -0.295521D+02  0.546176D+01 -0.107878D+01  0.271072D+02  0.265888D+01
      2   0.136816D+02 -0.595378D+01 -0.270177D+01 -0.117935D+02 -0.468675D+01
      3   0.158705D+02  0.492014D+00  0.378055D+01 -0.153137D+02  0.202787D+01
      4   0.720647D+01  0.124304D+02  0.150485D+02  0.258358D+01  0.107513D+02
      5  -0.528056D+01  0.168926D+02  0.104060D+02  0.865693D+01  0.665210D+01
      6  -0.812765D-01  0.289645D+01  0.205807D+01 -0.204938D+01  0.179214D+01
                36            37            38            39            40 
      1   0.170850D+02 -0.240823D+00 -0.523590D+01 -0.618893D+01 -0.368756D+01
      2   0.250289D+01  0.744198D+01 -0.825701D+01  0.450626D+01 -0.757742D+01
      3  -0.195879D+02 -0.720116D+01  0.134929D+02  0.168267D+01  0.112650D+02
      4   0.550144D+01 -0.100422D+02  0.131146D+02 -0.126673D+02  0.157457D+02
      5  -0.138621D+02  0.637381D+01 -0.147363D+02 -0.161590D+02 -0.664928D+01
      6   0.370515D+01 -0.162793D+00  0.867614D+01  0.925779D+01  0.535916D+01
                41            42            43            44            45 
      1   0.114736D+02 -0.101992D+02  0.202342D+00 -0.199461D+02 -0.121916D+02
      2  -0.427568D+01  0.117053D+02  0.164621D+01  0.167362D+02  0.865532D+01
      3  -0.719792D+01 -0.150619D+01 -0.184855D+01  0.320985D+01  0.353630D+01
      4  -0.185670D+02 -0.302058D+01 -0.174628D+02 -0.170689D+01  0.584651D+01
      5  -0.635737D+01  0.617647D+00 -0.145999D+02  0.310287D+01  0.757375D+01
      6   0.576308D+01 -0.158015D+01  0.114364D+02 -0.400789D+01 -0.315385D+01
                46            47            48            49            50 
      1  -0.745153D+01 -0.150173D+02 -0.504214D+01 -0.652574D+01 -0.218582D+01
      2  -0.201031D+01  0.183357D+02  0.123865D+02  0.106055D+02 -0.152171D+02
      3   0.946184D+01 -0.331840D+01 -0.734432D+01 -0.407974D+01  0.174029D+02
      4  -0.662166D+01 -0.456603D+01  0.393543D+01 -0.825041D+01  0.172050D+02
      5  -0.140862D+02  0.245504D+01  0.134055D+02 -0.129638D+01  0.330649D+01
      6   0.153012D+02  0.805825D+01 -0.216229D+01  0.939760D+01 -0.350060D+00
                51            52            53            54            55 
      1  -0.904814D+01  0.818858D+00 -0.561052D+01  0.105253D+02  0.176417D+01
      2  -0.119656D+01  0.425539D+01  0.300634D+01  0.123252D+02 -0.275077D+01
      3   0.102447D+02 -0.507425D+01  0.260417D+01 -0.228505D+02  0.986601D+00
      4   0.147128D+01  0.684120D+01 -0.344025D+01 -0.725875D+01 -0.381282D+01
      5  -0.297826D+01  0.999004D+01 -0.513497D+01 -0.288769D+01 -0.119894D+02
      6   0.708975D+01 -0.482923D+01  0.745208D+01  0.401295D+01 -0.209596D+01
                56            57            58            59            60 
      1  -0.205998D+00 -0.534671D+01  0.110926D+01 -0.152967D+01  0.534753D+01
      2  -0.257553D+01  0.180078D+01 -0.424387D+01 -0.201138D+00 -0.199528D+01
      3   0.278153D+01  0.354594D+01  0.313462D+01  0.173081D+01 -0.335225D+01
      4  -0.117062D+01 -0.469005D+01 -0.609292D+01 -0.823724D+01  0.205412D+01
      5  -0.620112D+01 -0.999352D+00  0.193803D+01  0.446066D+00  0.261604D+01
      6  -0.208858D+01 -0.155217D+01 -0.413941D+01 -0.173591D+01 -0.939165D-02
                61            62            63            64            65 
      1  -0.106973D+02  0.309641D+01 -0.568755D+00 -0.235147D+00  0.525905D+01
      2   0.546533D+01 -0.213410D+01 -0.263982D+01  0.744401D+01  0.823274D+01
      3   0.523196D+01 -0.962307D+00  0.320857D+01 -0.720886D+01 -0.134918D+02
      4  -0.160643D+01  0.606972D+01  0.203278D+01  0.100567D+02  0.131099D+02
      5  -0.522198D+00  0.137849D+01  0.145053D+00  0.636424D+01  0.147416D+02
      6  -0.481687D+01 -0.746620D+00 -0.137607D+01  0.160583D+00  0.868392D+01
                66            67            68            69            70 
      1  -0.619548D+01  0.370266D+01  0.114626D+02  0.102080D+02  0.194954D+00
      2   0.451920D+01  0.756055D+01 -0.426381D+01 -0.117141D+02  0.165681D+01
      3   0.167628D+01 -0.112632D+02 -0.719877D+01  0.150612D+01 -0.185176D+01
      4   0.126723D+02  0.157393D+02  0.185635D+02 -0.301888D+01  0.174642D+02
      5  -0.161450D+02  0.665400D+01 -0.635689D+01 -0.627593D+00 -0.145889D+02
      6  -0.925160D+01  0.536590D+01 -0.576929D+01 -0.159261D+01 -0.114329D+02
                71            72            73            74            75 
      1   0.199518D+02 -0.121684D+02 -0.108949D+02  0.191580D+02  0.155166D+02
      2  -0.167446D+02  0.863741D+01  0.109483D+01 -0.877773D+01 -0.877022D+01
      3  -0.320719D+01  0.353097D+01  0.980002D+01 -0.103803D+02 -0.674637D+01
      4  -0.170714D+01 -0.585945D+01  0.251539D+02 -0.194948D+01  0.430136D+01
      5  -0.311860D+01  0.758598D+01  0.211370D+02  0.480594D+01  0.132903D+02
      6  -0.402370D+01  0.316258D+01  0.570100D+01  0.634054D+00  0.322867D+01
                76            77            78            79            80 
      1   0.295467D+02  0.546322D+01  0.106353D+01  0.271339D+02 -0.267478D+01
      2  -0.136764D+02 -0.595279D+01  0.270344D+01 -0.117993D+02  0.468788D+01
      3  -0.158703D+02  0.489571D+00 -0.376697D+01 -0.153346D+02 -0.201310D+01
      4   0.720531D+01 -0.124460D+02  0.150489D+02 -0.259698D+01  0.107524D+02
      5   0.526277D+01  0.168930D+02 -0.103942D+02  0.863053D+01 -0.664180D+01
      6  -0.814323D-01 -0.290018D+01  0.206002D+01  0.204562D+01  0.179343D+01
                81            82            83            84            85 
      1   0.170606D+02  0.362202D+01 -0.367630D+01  0.175116D+01 -0.196648D+01
      2   0.252111D+01  0.413850D+01  0.109272D+02 -0.278606D+01  0.101302D+02
      3  -0.195817D+02 -0.776053D+01 -0.725088D+01  0.103490D+01 -0.816375D+01
      4  -0.549109D+01  0.102495D+02  0.175878D+02 -0.341369D+01  0.165454D+02
      5  -0.138929D+02 -0.250523D+01 -0.482101D+01  0.379027D+01 -0.567060D+01
      6  -0.369747D+01 -0.249904D+01 -0.727307D+01  0.368837D+01 -0.791185D+01
                86            87            88            89            90 
      1  -0.233731D+02  0.690725D+01  0.254781D+01  0.695314D+00 -0.572991D+01
      2   0.448504D+02 -0.674962D+01 -0.760028D+00  0.379555D+01  0.177495D+01
      3  -0.214774D+02 -0.157625D+00 -0.178778D+01 -0.449086D+01  0.395496D+01
      4   0.307238D+02 -0.746091D+01  0.174741D+01  0.111802D+01  0.337030D+01
      5  -0.840731D+01  0.530121D+01  0.155524D+01  0.303924D+01 -0.204282D+01
      6  -0.212783D+02  0.118514D+02  0.170206D+01  0.667435D+01 -0.369829D+01
                91            92            93            94            95 
      1  -0.347021D+00 -0.659040D-01 -0.510704D+01 -0.278484D+01 -0.390226D+01
      2  -0.233895D+01  0.105605D+01 -0.334743D+01  0.226379D+01  0.196771D+01
      3   0.268597D+01 -0.990148D+00  0.845446D+01  0.521057D+00  0.193456D+01
      4  -0.991555D+00  0.208298D+01 -0.142409D+01  0.263724D+01  0.201689D+01
      5   0.200154D+01 -0.349161D+00  0.469394D+01  0.177651D+01 -0.186771D+01
      6   0.421203D+00  0.348773D+00 -0.342109D+01 -0.141798D+01 -0.777792D+00
                96            97            98            99           100 
      1  -0.420572D+01 -0.269286D+01  0.575954D+01 -0.318606D+02  0.670158D+01
      2  -0.644347D+01  0.105314D+00 -0.237481D+01 -0.214168D+02 -0.561263D+01
      3   0.106492D+02  0.258755D+01 -0.338472D+01  0.532774D+02 -0.108894D+01
      4  -0.184183D+01 -0.173232D+01 -0.303906D+01  0.856345D+00  0.289794D+01
      5  -0.230183D+01  0.609278D+01  0.136898D+01 -0.105058D+02  0.376419D+01
      6   0.498961D+01 -0.419765D+00  0.911072D+01 -0.163771D+02 -0.184614D+00
               101           102           103           104           105 
      1   0.213578D+01  0.634875D+01  0.399497D+01 -0.250391D+01  0.266309D+01
      2  -0.106369D+01 -0.201818D+01 -0.191148D+01  0.466285D+00  0.674230D+00
      3  -0.107210D+01 -0.433057D+01 -0.208350D+01  0.203762D+01 -0.333732D+01
      4   0.568708D+00  0.398234D+00  0.328324D+01 -0.276845D+01  0.252885D+01
      5   0.116770D+01  0.330680D+01  0.546976D+00  0.235803D+01 -0.467851D+01
      6  -0.845780D+00  0.436804D+00  0.139585D+01 -0.196809D+01  0.649649D+01
               106           107           108           109           110 
      1   0.735249D+01  0.146302D+01 -0.119870D+02  0.774649D+02  0.190217D+02
      2  -0.111543D+02  0.391744D+00 -0.218980D+02 -0.379010D+02 -0.882481D+01
      3   0.380185D+01 -0.185476D+01  0.338850D+02 -0.395639D+02 -0.101969D+02
      4  -0.146243D+01  0.655867D+01 -0.270928D+01  0.226189D+02  0.157793D+02
      5   0.195092D+02 -0.329656D+01  0.465093D+02  0.684860D+01  0.245192D+01
      6  -0.192412D+01  0.610096D+01 -0.681121D+01  0.275453D+01  0.159756D+01
               111           112           113           114           115 
      1   0.220512D+01  0.320831D+02  0.113104D+02  0.129298D+01 -0.145126D+02
      2  -0.248716D+01 -0.142477D+02 -0.234438D+01 -0.158041D+01  0.585146D+01
      3   0.282039D+00 -0.178354D+02 -0.896601D+01  0.287433D+00  0.866116D+01
      4   0.161150D+01  0.174510D+02  0.115015D+02 -0.713628D+00 -0.333310D+01
      5   0.105332D+02  0.404706D+01 -0.791475D+00  0.452759D+01  0.110085D+02
      6   0.704629D+00  0.176715D+01  0.958094D+00  0.177842D+01  0.330502D+00
               116           117           118           119           120 
      1  -0.260831D+01  0.583047D+01 -0.342191D+01 -0.971892D+01  0.222994D+01
      2   0.105248D+01 -0.546275D+01  0.380394D+01  0.141285D+02 -0.253619D+01
      3   0.155583D+01 -0.367720D+00 -0.382023D+00 -0.440961D+01  0.306247D+00
      4  -0.515418D+01  0.214622D+01  0.257151D+01 -0.302608D+01  0.196430D+01
      5   0.217844D+01  0.166981D+01 -0.524851D+00  0.318522D+01  0.303052D+00
      6   0.172047D+01 -0.859526D+00 -0.134816D+01 -0.303545D+01  0.187182D+01
               121           122           123           124           125 
      1  -0.628575D+01 -0.251041D+02  0.476991D+01  0.375824D+01  0.106443D+02
      2   0.507245D+01  0.395230D+02 -0.632667D+01 -0.274250D+01 -0.127792D+02
      3   0.121331D+01 -0.144189D+02  0.155676D+01 -0.101575D+01  0.213487D+01
      4   0.476008D+01 -0.199292D+02  0.148112D+01  0.946415D+00  0.504363D+01
      5   0.187281D+01  0.282325D+01 -0.540049D+01  0.385785D+01 -0.483960D+01
      6  -0.147994D+01 -0.616555D+01  0.742080D+01 -0.754165D+00  0.894093D+01
               126           127           128           129           130 
      1  -0.400212D+01  0.168580D+02 -0.425037D+01 -0.636823D+01 -0.375087D+00
      2   0.384514D+01 -0.102678D+02  0.139296D+01  0.455475D+01 -0.138285D+01
      3   0.156972D+00 -0.659028D+01  0.285740D+01  0.181348D+01  0.175794D+01
      4  -0.390565D+01 -0.139334D+02  0.116014D+02  0.116284D+02  0.946548D+01
      5   0.198886D+01 -0.170231D+02  0.105662D+02  0.194451D+02  0.595042D+01
      6  -0.446045D+01  0.814062D+01 -0.723013D+01 -0.906710D+01 -0.561914D+01
               131           132           133           134           135 
      1  -0.228493D+01  0.658934D+00 -0.125025D+02  0.263961D+01  0.332072D+01
      2   0.584892D+01  0.132413D+01  0.860262D+01 -0.494412D-01 -0.100341D+02
      3  -0.356399D+01 -0.198307D+01  0.389992D+01 -0.259017D+01  0.671334D+01
      4  -0.129923D+02 -0.885519D+01  0.177995D+02 -0.165560D+02 -0.163906D+02
      5  -0.848144D+01 -0.655761D+01  0.233179D+02 -0.153175D+02 -0.301619D+02
      6   0.675395D+01  0.829884D+01 -0.125121D+02  0.135659D+02  0.179604D+02
               136           137           138           139           140 
      1  -0.347990D+00  0.652489D-01 -0.511216D+01  0.278613D+01 -0.390258D+01
      2  -0.233896D+01 -0.105446D+01 -0.335290D+01 -0.226226D+01  0.196603D+01
      3   0.268695D+01  0.989207D+00  0.846506D+01 -0.523870D+00  0.193655D+01
      4   0.991915D+00  0.208144D+01  0.142335D+01  0.263733D+01 -0.201538D+01
      5   0.200523D+01  0.348642D+00  0.469303D+01 -0.177656D+01 -0.186729D+01
      6  -0.421535D+00  0.349771D+00  0.342207D+01 -0.141777D+01  0.775190D+00
               141           142           143           144           145 
      1   0.421035D+01 -0.269672D+01 -0.575336D+01 -0.318594D+02  0.362232D+01
      2   0.644447D+01  0.100593D+00  0.237619D+01 -0.214163D+02  0.413722D+01
      3  -0.106548D+02  0.259613D+01  0.337716D+01  0.532757D+02 -0.775954D+01
      4  -0.184186D+01  0.173079D+01 -0.303712D+01 -0.852815D+00 -0.102504D+02
      5   0.230113D+01  0.609017D+01 -0.136648D+01 -0.104934D+02 -0.250869D+01
      6   0.499049D+01  0.422637D+00  0.910664D+01  0.163605D+02  0.250263D+01
               146           147           148           149           150 
      1   0.367716D+01  0.175162D+01  0.196612D+01 -0.233695D+02 -0.691150D+01
      2  -0.109245D+02 -0.278702D+01 -0.101254D+02  0.448333D+02  0.675401D+01
      3   0.724731D+01  0.103541D+01  0.815931D+01 -0.214638D+02  0.157492D+00
      4   0.175860D+02  0.341756D+01  0.165422D+02 -0.307143D+02 -0.746539D+01
      5   0.482463D+01  0.379219D+01  0.567372D+01 -0.841205D+01 -0.530414D+01
      6  -0.727680D+01 -0.369107D+01 -0.791587D+01  0.212879D+02  0.118566D+02
               151           152           153           154           155 
      1   0.254672D+01 -0.700603D+00 -0.573188D+01 -0.341664D+01  0.970829D+01
      2  -0.761813D+00 -0.378614D+01  0.177444D+01  0.379765D+01 -0.141131D+02
      3  -0.178491D+01  0.448674D+01  0.395744D+01 -0.381007D+00  0.440479D+01
      4  -0.174361D+01  0.111057D+01 -0.337083D+01 -0.257034D+01 -0.302189D+01
      5   0.155564D+01 -0.304025D+01 -0.204472D+01 -0.524673D+00 -0.318592D+01
      6  -0.170308D+01  0.667691D+01  0.370227D+01  0.135061D+01 -0.304161D+01
               156           157           158           159           160 
      1   0.223477D+01  0.627921D+01 -0.250955D+02 -0.478030D+01  0.376232D+01
      2  -0.254041D+01 -0.506309D+01  0.395117D+02  0.633942D+01 -0.274409D+01
      3   0.305640D+00 -0.121612D+01 -0.144162D+02 -0.155912D+01 -0.101822D+01
      4  -0.196467D+01  0.476416D+01  0.199370D+02  0.148970D+01 -0.942459D+00
      5   0.302228D+00 -0.187141D+01  0.283176D+01  0.540407D+01  0.385710D+01
      6  -0.187257D+01 -0.148070D+01  0.618538D+01  0.742679D+01  0.754029D+00
               161           162           163           164           165 
      1  -0.106557D+02 -0.401028D+01  0.168402D+02  0.424535D+01 -0.636072D+01
      2   0.127937D+02  0.385150D+01 -0.102555D+02 -0.138776D+01  0.454512D+01
      3  -0.213804D+01  0.158778D+00 -0.658465D+01 -0.285760D+01  0.181560D+01
      4   0.505697D+01  0.391187D+01  0.139248D+02  0.116007D+02 -0.116265D+02
      5   0.484648D+01  0.199614D+01 -0.170079D+02 -0.105649D+02  0.194323D+02
      6   0.895103D+01  0.447105D+01 -0.813694D+01 -0.722963D+01  0.906288D+01
               166           167           168           169           170 
      1   0.375376D+00 -0.228788D+01 -0.658472D+00 -0.124957D+02 -0.263562D+01
      2   0.138476D+01  0.585461D+01 -0.132480D+01  0.859298D+01  0.449281D-01
      3  -0.176013D+01 -0.356672D+01  0.198327D+01  0.390274D+01  0.259070D+01
      4   0.946883D+01  0.130020D+02 -0.885759D+01 -0.177997D+02 -0.165619D+02
      5  -0.595272D+01 -0.848357D+01  0.656284D+01  0.233078D+02  0.153231D+02
      6  -0.562092D+01 -0.675855D+01  0.830382D+01  0.125114D+02  0.135735D+02
               171           172           173           174           175 
      1   0.330950D+01  0.670877D+01 -0.213978D+01  0.634523D+01 -0.399843D+01
      2  -0.100227D+02 -0.561842D+01  0.106545D+01 -0.202395D+01  0.191399D+01
      3   0.671323D+01 -0.109035D+01  0.107434D+01 -0.432128D+01  0.208445D+01
      4   0.163948D+02 -0.289943D+01  0.572200D+00 -0.397900D+00  0.328515D+01
      5  -0.301597D+02  0.377018D+01 -0.116687D+01  0.332048D+01 -0.549236D+00
      6  -0.179673D+02  0.183695D+00 -0.843822D+00 -0.433801D+00  0.139686D+01
               176           177           178           179           180 
      1  -0.250017D+01 -0.265636D+01  0.735540D+01 -0.145683D+01 -0.119685D+02
      2   0.463997D+00 -0.672368D+00 -0.111641D+02 -0.389201D+00 -0.219095D+02
      3   0.203617D+01  0.332872D+01  0.380871D+01  0.184603D+01  0.338779D+02
      4   0.276517D+01  0.252932D+01  0.145888D+01  0.655990D+01  0.269773D+01
      5   0.235869D+01  0.466613D+01  0.195287D+02  0.328487D+01  0.465290D+02
      6   0.196276D+01  0.649305D+01  0.192106D+01  0.609818D+01  0.679398D+01
               181           182           183           184           185 
      1   0.774540D+02 -0.190258D+02  0.218253D+01 -0.320821D+02  0.113117D+02
      2  -0.378919D+02  0.882513D+01 -0.247477D+01  0.142449D+02 -0.234378D+01
      3  -0.395621D+02  0.102007D+02  0.292239D+00  0.178373D+02 -0.896791D+01
      4  -0.226258D+02  0.157819D+02 -0.160385D+01  0.174548D+02 -0.115030D+02
      5   0.681598D+01 -0.244341D+01  0.105296D+02 -0.403301D+01 -0.798471D+00
      6  -0.274937D+01  0.159529D+01 -0.704013D+00  0.176295D+01 -0.954618D+00
               186           187           188           189 
      1  -0.128438D+01 -0.145426D+02  0.261680D+01  0.583455D+01
      2   0.157656D+01  0.586699D+01 -0.105591D+01 -0.546428D+01
      3  -0.292179D+00  0.867558D+01 -0.156089D+01 -0.370271D+00
      4  -0.719944D+00  0.334374D+01 -0.516241D+01 -0.214996D+01
      5  -0.452783D+01  0.110123D+02 -0.218198D+01  0.165885D+01
      6   0.177830D+01 -0.330848D+00  0.172027D+01  0.859869D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 20:21:59 2021, MaxMem=  5637144576 cpu:           29828.3 elap:            3756.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.03809 -10.03802 -10.03778 -10.02237 -10.02237
 Alpha  occ. eigenvalues --  -10.02227 -10.02227 -10.02207 -10.02206  -0.98189
 Alpha  occ. eigenvalues --   -0.94342  -0.89160  -0.84469  -0.68674  -0.68459
 Alpha  occ. eigenvalues --   -0.66194  -0.64372  -0.60204  -0.58328  -0.56022
 Alpha  occ. eigenvalues --   -0.55745  -0.53335  -0.52828  -0.46230  -0.44228
 Alpha  occ. eigenvalues --   -0.44121  -0.42664  -0.40386  -0.38705  -0.38168
 Alpha  occ. eigenvalues --   -0.34582  -0.34201  -0.34007
 Alpha virt. eigenvalues --    0.03314   0.03759   0.04110   0.04169   0.05422
 Alpha virt. eigenvalues --    0.05816   0.05830   0.06144   0.06779   0.08059
 Alpha virt. eigenvalues --    0.08455   0.08559   0.10573   0.10876   0.10879
 Alpha virt. eigenvalues --    0.11724   0.12504   0.12695   0.13309   0.13820
 Alpha virt. eigenvalues --    0.14505   0.14794   0.14827   0.15155   0.15349
 Alpha virt. eigenvalues --    0.15799   0.15836   0.17048   0.17073   0.17208
 Alpha virt. eigenvalues --    0.17708   0.18260   0.18952   0.19655   0.19980
 Alpha virt. eigenvalues --    0.20947   0.21013   0.21265   0.22298   0.22331
 Alpha virt. eigenvalues --    0.22806   0.22914   0.23630   0.24141   0.24313
 Alpha virt. eigenvalues --    0.25528   0.25559   0.26432   0.26483   0.28557
 Alpha virt. eigenvalues --    0.29700   0.29939   0.30474   0.30641   0.31456
 Alpha virt. eigenvalues --    0.31984   0.33078   0.33890   0.34195   0.34685
 Alpha virt. eigenvalues --    0.35065   0.35452   0.35732   0.37821   0.38102
 Alpha virt. eigenvalues --    0.38654   0.39235   0.39637   0.39722   0.41188
 Alpha virt. eigenvalues --    0.41415   0.41848   0.41992   0.42273   0.43486
 Alpha virt. eigenvalues --    0.43553   0.43840   0.45215   0.45618   0.45836
 Alpha virt. eigenvalues --    0.46856   0.49015   0.49193   0.49346   0.50935
 Alpha virt. eigenvalues --    0.51322   0.51779   0.52460   0.52750   0.53694
 Alpha virt. eigenvalues --    0.53757   0.54101   0.54317   0.55267   0.55606
 Alpha virt. eigenvalues --    0.56094   0.56595   0.57017   0.57331   0.58224
 Alpha virt. eigenvalues --    0.58296   0.59116   0.61034   0.61087   0.61488
 Alpha virt. eigenvalues --    0.62673   0.63011   0.63310   0.64231   0.65036
 Alpha virt. eigenvalues --    0.65254   0.66634   0.67400   0.68726   0.69099
 Alpha virt. eigenvalues --    0.69347   0.70124   0.70626   0.71389   0.71776
 Alpha virt. eigenvalues --    0.72152   0.72707   0.73269   0.74193   0.74816
 Alpha virt. eigenvalues --    0.74910   0.75312   0.75916   0.76489   0.77417
 Alpha virt. eigenvalues --    0.77417   0.78294   0.79952   0.80071   0.80296
 Alpha virt. eigenvalues --    0.80416   0.81127   0.82362   0.82877   0.85305
 Alpha virt. eigenvalues --    0.85802   0.88401   0.88529   0.90745   0.93126
 Alpha virt. eigenvalues --    0.93917   0.94902   0.96242   0.98749   1.00252
 Alpha virt. eigenvalues --    1.00432   1.00936   1.02843   1.03081   1.06169
 Alpha virt. eigenvalues --    1.06869   1.07054   1.07358   1.07916   1.08483
 Alpha virt. eigenvalues --    1.09701   1.11561   1.12985   1.13977   1.15724
 Alpha virt. eigenvalues --    1.16304   1.17215   1.19671   1.20518   1.21429
 Alpha virt. eigenvalues --    1.22661   1.25941   1.26652   1.28488   1.32470
 Alpha virt. eigenvalues --    1.33977   1.37011   1.37156   1.41368   1.43145
 Alpha virt. eigenvalues --    1.44140   1.48417   1.50787   1.52304   1.52544
 Alpha virt. eigenvalues --    1.54313   1.55347   1.55981   1.56880   1.59927
 Alpha virt. eigenvalues --    1.60584   1.62271   1.62691   1.65140   1.66629
 Alpha virt. eigenvalues --    1.67035   1.68139   1.69927   1.70290   1.75135
 Alpha virt. eigenvalues --    1.77128   1.77748   1.78310   1.80064   1.80816
 Alpha virt. eigenvalues --    1.81938   1.82619   1.84951   1.85313   1.86249
 Alpha virt. eigenvalues --    1.87858   1.88541   1.88769   1.91449   1.93450
 Alpha virt. eigenvalues --    1.94684   1.94780   1.97567   1.97968   1.99450
 Alpha virt. eigenvalues --    2.00930   2.02488   2.02604   2.04624   2.05161
 Alpha virt. eigenvalues --    2.06100   2.06106   2.08317   2.10396   2.10773
 Alpha virt. eigenvalues --    2.11518   2.13851   2.14373   2.16907   2.18738
 Alpha virt. eigenvalues --    2.19167   2.22489   2.23610   2.25614   2.27111
 Alpha virt. eigenvalues --    2.27957   2.28730   2.31085   2.32247   2.36399
 Alpha virt. eigenvalues --    2.37770   2.40111   2.41138   2.44494   2.44616
 Alpha virt. eigenvalues --    2.48014   2.49762   2.49993   2.50714   2.55619
 Alpha virt. eigenvalues --    2.57234   2.57280   2.58335   2.58568   2.61136
 Alpha virt. eigenvalues --    2.61149   2.68978   2.69608   2.71860   2.73066
 Alpha virt. eigenvalues --    2.75736   2.79374   2.88663   2.89825   2.90494
 Alpha virt. eigenvalues --    2.97890   2.98993   2.99836   3.04701   3.06572
 Alpha virt. eigenvalues --    3.09414   3.18654   3.48979   3.51512   3.85323
 Alpha virt. eigenvalues --    4.07824   4.08266
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.512248   0.354894   0.569205  -0.845842  -0.539241  -0.430241
     2  C    0.354894  11.457242  -2.536203   0.000173   0.272022  -1.514568
     3  C    0.569205  -2.536203  13.248040  -1.218205  -1.200591   0.568906
     4  C   -0.845842   0.000173  -1.218205   7.246802   0.637858  -0.442797
     5  C   -0.539241   0.272022  -1.200591   0.637858   7.119799  -0.054087
     6  C   -0.430241  -1.514568   0.568906  -0.442797  -0.054087   8.511477
     7  C   -1.515356  -1.779490  -2.538288   0.091196  -0.508693   0.355317
     8  C   -0.054073  -0.508575  -1.201006  -0.052005  -0.105104  -0.539334
     9  C   -0.442690   0.091374  -1.218678   0.115864  -0.051939  -0.845844
    10  H   -0.265485  -0.044215  -0.027744  -0.133776   0.133977  -0.103505
    11  H   -0.071811  -0.063155   0.031931   0.115548  -0.168758   0.102252
    12  H    0.087974  -0.174463  -0.061320  -0.078318   0.046205  -0.024275
    13  H   -0.109668  -0.031574   0.311079  -0.314946  -0.064467   0.048184
    14  H    0.052380  -0.176160  -0.009559   0.034048  -0.110294   0.023797
    15  H   -0.083698  -0.083324   0.295575  -0.030090  -0.300139   0.005707
    16  H    0.102294  -0.088619   0.031698   0.007121  -0.015033  -0.071698
    17  H   -0.103470   0.255038  -0.027560   0.017912   0.006770  -0.265465
    18  H    0.023861  -0.009475  -0.009248   0.016941  -0.013123   0.052421
    19  H    0.005696   0.049209   0.295633  -0.008691   0.029181  -0.083758
    20  H   -0.024236   0.027714  -0.061114  -0.005204   0.025936   0.088048
    21  H    0.048168   0.015835   0.311121   0.005017   0.004532  -0.109781
               7          8          9         10         11         12
     1  C   -1.515356  -0.054073  -0.442690  -0.265485  -0.071811   0.087974
     2  C   -1.779490  -0.508575   0.091374  -0.044215  -0.063155  -0.174463
     3  C   -2.538288  -1.201006  -1.218678  -0.027744   0.031931  -0.061320
     4  C    0.091196  -0.052005   0.115864  -0.133776   0.115548  -0.078318
     5  C   -0.508693  -0.105104  -0.051939   0.133977  -0.168758   0.046205
     6  C    0.355317  -0.539334  -0.845844  -0.103505   0.102252  -0.024275
     7  C   11.459118   0.272729   0.000522   0.255053  -0.088541   0.027769
     8  C    0.272729   7.119888   0.637630   0.006768  -0.015032   0.025945
     9  C    0.000522   0.637630   7.246905   0.017918   0.007118  -0.005189
    10  H    0.255053   0.006768   0.017918   2.043790  -0.428869   0.017351
    11  H   -0.088541  -0.015032   0.007118  -0.428869   2.059885  -0.000497
    12  H    0.027769   0.025945  -0.005189   0.017351  -0.000497   2.111821
    13  H    0.015835   0.004533   0.005009  -0.013435   0.016180  -0.423031
    14  H   -0.009413  -0.013146   0.016949  -0.000357   0.009992  -0.110453
    15  H    0.049180   0.029177  -0.008684   0.017588  -0.013122   0.101355
    16  H   -0.063162  -0.168762   0.115564   0.007677   0.001169  -0.024835
    17  H   -0.044432   0.134022  -0.133861   0.000612   0.007675   0.015245
    18  H   -0.176226  -0.110608   0.033901  -0.002395   0.012579   0.005248
    19  H   -0.083464  -0.300063  -0.030019   0.002859  -0.004700   0.001460
    20  H   -0.174400   0.046074  -0.078500   0.015232  -0.024789  -0.001006
    21  H   -0.031754  -0.064440  -0.314728   0.001430   0.014133   0.000346
              13         14         15         16         17         18
     1  C   -0.109668   0.052380  -0.083698   0.102294  -0.103470   0.023861
     2  C   -0.031574  -0.176160  -0.083324  -0.088619   0.255038  -0.009475
     3  C    0.311079  -0.009559   0.295575   0.031698  -0.027560  -0.009248
     4  C   -0.314946   0.034048  -0.030090   0.007121   0.017912   0.016941
     5  C   -0.064467  -0.110294  -0.300139  -0.015033   0.006770  -0.013123
     6  C    0.048184   0.023797   0.005707  -0.071698  -0.265465   0.052421
     7  C    0.015835  -0.009413   0.049180  -0.063162  -0.044432  -0.176226
     8  C    0.004533  -0.013146   0.029177  -0.168762   0.134022  -0.110608
     9  C    0.005009   0.016949  -0.008684   0.115564  -0.133861   0.033901
    10  H   -0.013435  -0.000357   0.017588   0.007677   0.000612  -0.002395
    11  H    0.016180   0.009992  -0.013122   0.001169   0.007675   0.012579
    12  H   -0.423031  -0.110453   0.101355  -0.024835   0.015245   0.005248
    13  H    2.038246   0.096459  -0.081038   0.014151   0.001428   0.001380
    14  H    0.096459   2.176428  -0.428517   0.012583  -0.002399  -0.020222
    15  H   -0.081038  -0.428517   2.042830  -0.004707   0.002862   0.009719
    16  H    0.014151   0.012583  -0.004707   2.060332  -0.429045   0.009993
    17  H    0.001428  -0.002399   0.002862  -0.429045   2.043965  -0.000360
    18  H    0.001380  -0.020222   0.009719   0.009993  -0.000360   2.176642
    19  H   -0.000188   0.009725   0.003480  -0.013112   0.017593  -0.428502
    20  H    0.000344   0.005252   0.001458  -0.000478   0.017348  -0.110480
    21  H   -0.000002   0.001381  -0.000188   0.016175  -0.013458   0.096471
              19         20         21
     1  C    0.005696  -0.024236   0.048168
     2  C    0.049209   0.027714   0.015835
     3  C    0.295633  -0.061114   0.311121
     4  C   -0.008691  -0.005204   0.005017
     5  C    0.029181   0.025936   0.004532
     6  C   -0.083758   0.088048  -0.109781
     7  C   -0.083464  -0.174400  -0.031754
     8  C   -0.300063   0.046074  -0.064440
     9  C   -0.030019  -0.078500  -0.314728
    10  H    0.002859   0.015232   0.001430
    11  H   -0.004700  -0.024789   0.014133
    12  H    0.001460  -0.001006   0.000346
    13  H   -0.000188   0.000344  -0.000002
    14  H    0.009725   0.005252   0.001381
    15  H    0.003480   0.001458  -0.000188
    16  H   -0.013112  -0.000478   0.016175
    17  H    0.017593   0.017348  -0.013458
    18  H   -0.428502  -0.110480   0.096471
    19  H    2.042735   0.101330  -0.080968
    20  H    0.101330   2.111785  -0.422942
    21  H   -0.080968  -0.422942   2.038060
 Mulliken charges:
               1
     1  C    0.729091
     2  C    0.486323
     3  C    0.446326
     4  C    0.841393
     5  C    0.855189
     6  C    0.729243
     7  C    0.486498
     8  C    0.855381
     9  C    0.841377
    10  H   -0.500476
    11  H   -0.499186
    12  H   -0.537332
    13  H   -0.514478
    14  H   -0.558470
    15  H   -0.525424
    16  H   -0.499304
    17  H   -0.500419
    18  H   -0.558515
    19  H   -0.525437
    20  H   -0.537372
    21  H   -0.514408
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.270571
     2  C    0.486323
     3  C    0.446326
     4  C   -0.210418
     5  C   -0.228705
     6  C   -0.270479
     7  C    0.486498
     8  C   -0.228571
     9  C   -0.210403
 Electronic spatial extent (au):  <R**2>=           1251.1952
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0001    Y=             -0.0137    Z=             -0.0000  Tot=              0.0137
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -55.4694   YY=            -55.0899   ZZ=            -53.8803
   XY=              0.0006   XZ=             -0.9279   YZ=              0.0003
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.6562   YY=             -0.2767   ZZ=              0.9329
   XY=              0.0006   XZ=             -0.9279   YZ=              0.0003
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0020  YYY=              1.0437  ZZZ=             -0.0010  XYY=             -0.0016
  XXY=              5.8749  XXZ=             -0.0002  XZZ=             -0.0005  YZZ=             -1.5295
  YYZ=             -0.0006  XYZ=              0.9642
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1135.8637 YYYY=           -350.6752 ZZZZ=           -248.2533 XXXY=             -0.0011
 XXXZ=            -15.5789 YYYX=              0.0084 YYYZ=              0.0054 ZZZX=              3.1188
 ZZZY=             -0.0043 XXYY=           -260.0643 XXZZ=           -231.6083 YYZZ=           -107.3722
 XXYZ=              0.0039 YYXZ=             -7.5659 ZZXY=              0.0001
 N-N= 4.312966651839D+02 E-N=-1.671949218835D+03  KE= 3.472741825383D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 20:22:00 2021, MaxMem=  5637144576 cpu:               6.1 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.25009523D-05 6.53947604D-04-1.57065588D-05
 Polarizability= 1.16205500D+02-2.55729108D-04 9.47190803D+01
                 1.21316547D+00 2.46043601D-04 9.01063663D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.7859   -0.7872       -0.0002   -0.0002
 2      0.7859    0.7872       -0.0001   -0.0001      -11.4498  -11.4511
 3      0.0002    0.0002       14.1202   14.1168        0.0001    0.0001
 4      0.0001    0.0001        0.0000    0.0000        0.0002    0.0002
 5     -2.6705   -2.6656       -0.0002   -0.0002       -0.7865   -0.7872
 6     -0.0001   -0.0001        0.7865    0.7872       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.3616    2.3616       -0.0006   -0.0006
 2      0.0002    0.0002       -0.0000    0.0000       -0.0006   -0.0006
 3      0.0002    0.0002        2.3616    2.3616        0.0000    0.0000
 4      2.3616    2.3616       -0.0002   -0.0002      -34.3534  -34.3534
 5      0.0006    0.0006       42.3504   42.3504        0.0002    0.0002
 6     -7.9969   -7.9969       -0.0006   -0.0006       -2.3616   -2.3616
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.1624    3.1488        0.0009    0.0008
 2     -3.1621   -3.1488        0.0003    0.0002       45.6914   45.8046
 3     -0.0008   -0.0008      -56.4909  -56.4672       -0.0002   -0.0002
 4     -0.0003   -0.0002        0.0085    0.0000       -0.0008   -0.0008
 5     10.6437   10.6626        0.0008    0.0008        3.1399    3.1488
 6      0.0002    0.0002       -3.1481   -3.1488        0.0000    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0001    0.0000       27.3368   27.2910        0.0020    0.0021
 2    -27.2862  -27.2910        0.0032    0.0033       21.4279   21.4634
 3     -0.0020   -0.0021      -23.6023  -23.5530       -0.0036   -0.0033
 4     -0.0033   -0.0033       -0.0322    0.0000       -0.0021   -0.0021
 5      2.0587    2.0896        0.0022    0.0021       27.2020   27.2910
 6      0.0033    0.0033      -27.2947  -27.2910        0.0001    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0067   -0.0066       46.1555   46.1407        0.0101    0.0102
 2     -0.0140   -0.0139       61.7282   61.6707        0.0101    0.0102
 3     -0.0140   -0.0139       46.1351   46.1407        0.0071    0.0071
 4    -15.4907  -15.5300        0.0074    0.0073        4.5245    4.5071
 5     -0.0030   -0.0030      -15.1414  -15.1837       -0.0076   -0.0073
 6     10.7121   10.6766        0.0031    0.0030       15.6230   15.5300
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0001    0.0004    0.0007    3.2993    4.5562   10.3355
 Low frequencies ---   93.3868  127.1124  136.7425
 Diagonal vibrational polarizability:
        1.1232731       1.2289847       0.8238067
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     93.3867               127.1116               136.7420
 Red. masses --      3.4630                 2.6141                 2.4309
 Frc consts  --      0.0178                 0.0249                 0.0268
 IR Inten    --      0.0012                 0.0011                 0.0015
 RamAct Fr= 1--      1.0604                 0.1113                 0.4406
  Dep-P Fr= 1--      0.5468                 0.7500                 0.3509
  Dep-U Fr= 1--      0.7070                 0.8571                 0.5195
 Alpha2 Fr= 1--      0.0041                 0.0000                 0.0039
 Beta2  Fr= 1--      0.1250                 0.0159                 0.0381
 AlphaG Fr= 1--      0.0018                -0.0000                -0.0144
 Gamma2 Fr= 1--     -0.3321                -0.2369                -0.4211
 Delta2 Fr= 1--     -0.1529                -0.1960                -0.1612
 Raman1 Fr= 1--       4.242                  0.445                  1.762
 ROA1   Fr= 1--     -36.774                -29.011                -45.586
 CID1   Fr= 1--      -8.669                -65.142                -25.868
 Raman2 Fr= 1--       1.499                  0.191                  0.458
 ROA2   Fr= 1--      -6.748                 -4.118                 -8.818
 CID2   Fr= 1--      -4.500                -21.573                -19.266
 Raman3 Fr= 1--       2.999                  0.382                  0.915
 ROA3   Fr= 1--     -36.774                -29.011                -45.586
 CID3   Fr= 1--     -12.262                -75.999                -49.799
 RC180  Fr= 1--       0.414                  0.714                  0.039
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.11   0.03     0.09   0.05  -0.05     0.05   0.05   0.09
     2   6    -0.03   0.05   0.01     0.01   0.01  -0.06     0.03   0.00   0.04
     3   6     0.00   0.13  -0.00    -0.00   0.00  -0.14    -0.00  -0.06  -0.00
     4   6    -0.07  -0.16   0.00    -0.14  -0.02   0.15     0.02  -0.08   0.04
     5   6    -0.23  -0.04  -0.04     0.04   0.02  -0.00     0.10   0.05  -0.16
     6   6    -0.05   0.11  -0.03     0.09  -0.05  -0.05    -0.05   0.05  -0.09
     7   6     0.03   0.05  -0.01     0.01  -0.01  -0.06    -0.03   0.00  -0.04
     8   6     0.23  -0.04   0.04     0.04  -0.02  -0.00    -0.10   0.05   0.16
     9   6     0.07  -0.16  -0.00    -0.14   0.02   0.15    -0.02  -0.08  -0.04
    10   1     0.10   0.08   0.08     0.06   0.06   0.02    -0.03   0.07   0.19
    11   1     0.07   0.16   0.01     0.19   0.08  -0.09     0.16   0.10   0.05
    12   1    -0.09  -0.18  -0.00    -0.36  -0.06   0.12    -0.02  -0.28   0.01
    13   1     0.01  -0.29   0.02    -0.08  -0.01   0.36     0.01   0.01   0.16
    14   1    -0.36   0.01  -0.08    -0.03  -0.01  -0.14     0.15  -0.06  -0.32
    15   1    -0.26  -0.09  -0.05     0.22   0.08   0.10     0.13   0.25  -0.19
    16   1    -0.07   0.16  -0.01     0.19  -0.08  -0.09    -0.16   0.10  -0.05
    17   1    -0.10   0.08  -0.08     0.06  -0.06   0.02     0.03   0.07  -0.19
    18   1     0.36   0.01   0.08    -0.03   0.01  -0.14    -0.15  -0.06   0.32
    19   1     0.26  -0.09   0.05     0.22  -0.08   0.10    -0.13   0.25   0.19
    20   1     0.09  -0.18   0.00    -0.36   0.06   0.12     0.02  -0.28  -0.01
    21   1    -0.01  -0.29  -0.02    -0.08   0.01   0.36    -0.01   0.01  -0.16
                      4                      5                      6
                      A                      A                      A
 Frequencies --    243.9944               261.0571               309.6948
 Red. masses --      2.4431                 2.4648                 2.5338
 Frc consts  --      0.0857                 0.0990                 0.1432
 IR Inten    --      0.0276                 0.0233                 0.1247
 RamAct Fr= 1--      2.7312                 1.2198                 0.0821
  Dep-P Fr= 1--      0.5146                 0.7500                 0.7500
  Dep-U Fr= 1--      0.6795                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0126                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3093                 0.1743                 0.0117
 AlphaG Fr= 1--      0.0050                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.3045                 1.0083                -0.0117
 Delta2 Fr= 1--     -0.1080                 0.2409                -0.0245
 Raman1 Fr= 1--      10.925                  4.879                  0.328
 ROA1   Fr= 1--     -32.692                104.503                 -1.909
 CID1   Fr= 1--      -2.992                 21.418                 -5.817
 Raman2 Fr= 1--       3.712                  2.091                  0.141
 ROA2   Fr= 1--      -6.445                 22.271                 -0.085
 CID2   Fr= 1--      -1.736                 10.651                 -0.601
 Raman3 Fr= 1--       7.424                  4.182                  0.281
 ROA3   Fr= 1--     -32.692                104.503                 -1.909
 CID3   Fr= 1--      -4.404                 24.987                 -6.786
 RC180  Fr= 1--       0.359                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.01  -0.08    -0.02  -0.13   0.01     0.04   0.07   0.07
     2   6    -0.01   0.01  -0.10    -0.08  -0.11   0.07    -0.07  -0.13  -0.09
     3   6     0.00  -0.04  -0.00    -0.06  -0.00   0.03    -0.01   0.00  -0.00
     4   6    -0.16  -0.01   0.09    -0.03  -0.01   0.02    -0.06   0.08  -0.07
     5   6     0.00   0.02  -0.04     0.13  -0.00  -0.08     0.06  -0.09   0.06
     6   6     0.12  -0.01   0.08    -0.02   0.13   0.01     0.04  -0.07   0.07
     7   6     0.01   0.01   0.10    -0.08   0.11   0.07    -0.07   0.13  -0.09
     8   6    -0.00   0.02   0.04     0.13   0.00  -0.08     0.06   0.09   0.06
     9   6     0.16  -0.01  -0.09    -0.03   0.01   0.02    -0.06  -0.08  -0.07
    10   1    -0.18   0.02  -0.15     0.05  -0.14  -0.09     0.24  -0.03   0.26
    11   1    -0.19  -0.07  -0.04    -0.03  -0.22   0.03    -0.06   0.32   0.03
    12   1    -0.40  -0.02   0.05    -0.01  -0.18  -0.00    -0.01   0.19  -0.05
    13   1    -0.08  -0.04   0.30    -0.11   0.18   0.08    -0.13   0.17  -0.15
    14   1    -0.06  -0.02  -0.19     0.35  -0.17  -0.16     0.14  -0.07   0.17
    15   1     0.16   0.10   0.04     0.10   0.24  -0.16     0.10  -0.16   0.10
    16   1     0.19  -0.07   0.04    -0.03   0.22   0.04    -0.06  -0.32   0.03
    17   1     0.18   0.02   0.15     0.05   0.14  -0.09     0.24   0.03   0.26
    18   1     0.06  -0.02   0.19     0.35   0.17  -0.16     0.14   0.07   0.17
    19   1    -0.17   0.10  -0.04     0.10  -0.24  -0.16     0.10   0.16   0.10
    20   1     0.40  -0.02  -0.05    -0.01   0.18  -0.00    -0.01  -0.19  -0.05
    21   1     0.08  -0.04  -0.30    -0.11  -0.18   0.08    -0.13  -0.17  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    402.1717               425.9712               461.3136
 Red. masses --      2.1065                 2.4669                 2.7609
 Frc consts  --      0.2007                 0.2637                 0.3462
 IR Inten    --      0.1469                 0.0677                 0.2767
 RamAct Fr= 1--      2.5005                 2.8600                 4.0872
  Dep-P Fr= 1--      0.7453                 0.7500                 0.5694
  Dep-U Fr= 1--      0.8541                 0.8571                 0.7257
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0139
 Beta2  Fr= 1--      0.3559                 0.4086                 0.4943
 AlphaG Fr= 1--      0.0017                 0.0000                 0.0048
 Gamma2 Fr= 1--     -1.3891                 0.0110                 0.9358
 Delta2 Fr= 1--      0.2250                -0.0078                 0.2873
 Raman1 Fr= 1--      10.002                 11.440                 16.349
 ROA1   Fr= 1--    -126.158                  0.807                 99.035
 CID1   Fr= 1--     -12.613                  0.071                  6.058
 Raman2 Fr= 1--       4.271                  4.903                  5.932
 ROA2   Fr= 1--     -35.139                  0.327                 20.162
 CID2   Fr= 1--      -8.227                  0.067                  3.399
 Raman3 Fr= 1--       8.543                  9.806                 11.864
 ROA3   Fr= 1--    -126.158                  0.807                 99.035
 CID3   Fr= 1--     -14.768                  0.082                  8.348
 RC180  Fr= 1--       0.708                  0.714                  0.451
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.11  -0.10     0.15  -0.01   0.01     0.12  -0.00   0.00
     2   6    -0.02   0.04   0.09    -0.08   0.02   0.11    -0.12  -0.11  -0.04
     3   6     0.00   0.12   0.00    -0.09   0.00  -0.13    -0.00   0.09   0.00
     4   6     0.02  -0.01   0.03     0.01   0.05  -0.02    -0.14   0.08  -0.06
     5   6    -0.03   0.06  -0.04    -0.08   0.06  -0.01     0.01  -0.04  -0.04
     6   6    -0.06  -0.11   0.10     0.15   0.01   0.01    -0.12  -0.00  -0.00
     7   6     0.02   0.04  -0.09    -0.08  -0.02   0.11     0.12  -0.11   0.04
     8   6     0.03   0.06   0.04    -0.08  -0.06  -0.01    -0.01  -0.04   0.04
     9   6    -0.02  -0.01  -0.03     0.01  -0.05  -0.02     0.14   0.08   0.06
    10   1     0.14  -0.11  -0.40     0.11  -0.01   0.15     0.37  -0.11   0.14
    11   1     0.01  -0.39  -0.01     0.46   0.01  -0.07     0.09   0.17  -0.04
    12   1     0.04  -0.13   0.01     0.23  -0.05  -0.01    -0.17   0.07  -0.06
    13   1     0.01   0.03   0.07    -0.10   0.16  -0.17    -0.21   0.23  -0.03
    14   1     0.06  -0.01  -0.09    -0.01   0.06   0.07     0.20  -0.14  -0.01
    15   1    -0.11   0.20  -0.13    -0.21   0.06  -0.10     0.01   0.08  -0.07
    16   1    -0.01  -0.39   0.01     0.46  -0.01  -0.07    -0.09   0.17   0.04
    17   1    -0.14  -0.11   0.40     0.11   0.01   0.15    -0.37  -0.11  -0.14
    18   1    -0.06  -0.01   0.09    -0.01  -0.06   0.07    -0.20  -0.14   0.01
    19   1     0.11   0.20   0.13    -0.21  -0.06  -0.10    -0.01   0.08   0.07
    20   1    -0.04  -0.13  -0.01     0.23   0.05  -0.01     0.17   0.07   0.06
    21   1    -0.01   0.03  -0.07    -0.10  -0.16  -0.17     0.21   0.23   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    565.9291               624.9180               661.3826
 Red. masses --      3.3798                 3.0782                 2.8453
 Frc consts  --      0.6378                 0.7083                 0.7333
 IR Inten    --      0.2920                 0.3828                 0.1138
 RamAct Fr= 1--     18.4525                13.9080                 9.5486
  Dep-P Fr= 1--      0.1640                 0.7500                 0.6566
  Dep-U Fr= 1--      0.2818                 0.8571                 0.7927
 Alpha2 Fr= 1--      0.2753                 0.0000                 0.0159
 Beta2  Fr= 1--      0.8665                 1.9869                 1.2616
 AlphaG Fr= 1--      0.0696                -0.0000                 0.0025
 Gamma2 Fr= 1--     -0.3868                -0.7929                 2.2162
 Delta2 Fr= 1--     -0.7781                 2.5446                -1.7734
 Raman1 Fr= 1--      73.810                 55.632                 38.194
 ROA1   Fr= 1--     -62.031                  5.306                156.002
 CID1   Fr= 1--      -0.840                  0.095                  4.084
 Raman2 Fr= 1--      10.398                 23.842                 15.139
 ROA2   Fr= 1--      -3.057                -39.387                 67.375
 CID2   Fr= 1--      -0.294                 -1.652                  4.451
 Raman3 Fr= 1--      20.796                 47.684                 30.277
 ROA3   Fr= 1--     -62.031                  5.306                156.002
 CID3   Fr= 1--      -2.983                  0.111                  5.152
 RC180  Fr= 1--      -0.436                  0.714                  0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.06  -0.12     0.11  -0.08   0.04    -0.14   0.08   0.01
     2   6     0.10   0.04  -0.15     0.04   0.01  -0.04    -0.09  -0.05   0.08
     3   6     0.00   0.15   0.00     0.13  -0.00   0.21     0.00   0.21   0.00
     4   6     0.06  -0.09  -0.01    -0.08   0.12  -0.01     0.02  -0.08   0.00
     5   6     0.13  -0.06   0.04    -0.10   0.05  -0.07     0.07  -0.05   0.06
     6   6    -0.12   0.06   0.12     0.11   0.08   0.04     0.14   0.08  -0.01
     7   6    -0.10   0.04   0.15     0.04  -0.01  -0.04     0.09  -0.05  -0.08
     8   6    -0.13  -0.06  -0.04    -0.10  -0.05  -0.07    -0.07  -0.05  -0.06
     9   6    -0.06  -0.09   0.01    -0.08  -0.12  -0.01    -0.02  -0.08  -0.00
    10   1     0.27   0.01  -0.19     0.32  -0.14  -0.15     0.01   0.03  -0.09
    11   1     0.03   0.09  -0.11    -0.18  -0.17   0.14    -0.38   0.10   0.06
    12   1    -0.15   0.05  -0.02    -0.25   0.21  -0.03     0.09  -0.23  -0.00
    13   1     0.19  -0.25   0.13    -0.04   0.07   0.05    -0.02   0.04   0.05
    14   1     0.02  -0.03  -0.02    -0.15   0.05  -0.13     0.35  -0.18   0.12
    15   1     0.27  -0.14   0.15    -0.09   0.11  -0.08    -0.04   0.08  -0.05
    16   1    -0.03   0.09   0.11    -0.18   0.17   0.14     0.38   0.10  -0.06
    17   1    -0.27   0.01   0.19     0.32   0.14  -0.15    -0.01   0.03   0.09
    18   1    -0.02  -0.03   0.02    -0.15  -0.05  -0.13    -0.35  -0.18  -0.12
    19   1    -0.27  -0.14  -0.15    -0.09  -0.11  -0.08     0.04   0.08   0.05
    20   1     0.15   0.05   0.02    -0.25  -0.21  -0.03    -0.09  -0.23   0.00
    21   1    -0.19  -0.25  -0.13    -0.04  -0.07   0.05     0.02   0.04  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    791.5430               795.9907               861.6292
 Red. masses --      1.0305                 1.0477                 1.4451
 Frc consts  --      0.3804                 0.3911                 0.6321
 IR Inten    --      0.1017                 0.0658                 0.7784
 RamAct Fr= 1--      0.9924                 0.9615                 3.1298
  Dep-P Fr= 1--      0.7500                 0.6397                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7802                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0019                 0.0000
 Beta2  Fr= 1--      0.1418                 0.1250                 0.4471
 AlphaG Fr= 1--      0.0000                 0.0081                 0.0000
 Gamma2 Fr= 1--      0.5347                -0.7685                -0.6673
 Delta2 Fr= 1--     -0.1483                 0.0047                -1.8246
 Raman1 Fr= 1--       3.970                  3.846                 12.519
 ROA1   Fr= 1--      46.590                -73.626               -122.451
 CID1   Fr= 1--      11.737                -19.144                 -9.781
 Raman2 Fr= 1--       1.701                  1.500                  5.365
 ROA2   Fr= 1--      14.020                -18.483                 -1.419
 CID2   Fr= 1--       8.241                -12.319                 -0.264
 Raman3 Fr= 1--       3.402                  3.001                 10.730
 ROA3   Fr= 1--      46.590                -73.626               -122.451
 CID3   Fr= 1--      13.693                -24.537                -11.412
 RC180  Fr= 1--       0.714                  0.560                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.01     0.01   0.00  -0.01     0.01   0.00   0.06
     2   6     0.00   0.00  -0.01     0.01   0.01  -0.02     0.04   0.03   0.02
     3   6     0.02  -0.00   0.01     0.00  -0.03   0.00    -0.01   0.00  -0.00
     4   6     0.01   0.00  -0.01     0.01   0.00  -0.01    -0.07   0.01  -0.02
     5   6     0.01   0.01  -0.01     0.01   0.01  -0.01     0.04  -0.06  -0.05
     6   6     0.00  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00   0.06
     7   6     0.00  -0.00  -0.01    -0.01   0.01   0.02     0.04  -0.03   0.02
     8   6     0.01  -0.01  -0.01    -0.01   0.01   0.01     0.04   0.06  -0.05
     9   6     0.01  -0.00  -0.01    -0.01   0.00   0.01    -0.07  -0.01  -0.02
    10   1     0.02   0.01  -0.04    -0.03   0.02  -0.00    -0.25   0.13  -0.15
    11   1    -0.06   0.02   0.00     0.04   0.01  -0.02     0.16  -0.30   0.11
    12   1    -0.14  -0.31  -0.07    -0.14  -0.31  -0.07     0.08  -0.01  -0.01
    13   1    -0.02   0.22   0.28    -0.02   0.22   0.27    -0.17   0.16  -0.12
    14   1     0.09   0.12   0.31     0.05   0.16   0.31    -0.16   0.10   0.04
    15   1    -0.26  -0.21  -0.12    -0.23  -0.25  -0.10     0.15  -0.30   0.09
    16   1    -0.06  -0.02   0.00    -0.04   0.01   0.02     0.16   0.31   0.11
    17   1     0.02  -0.01  -0.04     0.03   0.02   0.00    -0.26  -0.13  -0.16
    18   1     0.09  -0.12   0.31    -0.05   0.16  -0.31    -0.16  -0.10   0.04
    19   1    -0.26   0.21  -0.12     0.23  -0.25   0.10     0.16   0.31   0.09
    20   1    -0.14   0.31  -0.07     0.14  -0.31   0.07     0.09   0.01  -0.01
    21   1    -0.02  -0.22   0.28     0.02   0.22  -0.27    -0.18  -0.16  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    862.0283               876.7302               906.4135
 Red. masses --      1.5158                 1.6655                 2.7703
 Frc consts  --      0.6636                 0.7543                 1.3410
 IR Inten    --      0.5356                 3.5676                14.6226
 RamAct Fr= 1--      7.8582                 7.4433                 2.3487
  Dep-P Fr= 1--      0.7265                 0.7500                 0.7391
  Dep-U Fr= 1--      0.8416                 0.8571                 0.8500
 Alpha2 Fr= 1--      0.0032                 0.0000                 0.0004
 Beta2  Fr= 1--      1.1022                 1.0633                 0.3327
 AlphaG Fr= 1--      0.0069                -0.0000                 0.0033
 Gamma2 Fr= 1--     -3.9061                -0.6373                 5.4371
 Delta2 Fr= 1--     -1.7232                -0.9111                 3.0408
 Raman1 Fr= 1--      31.433                 29.773                  9.395
 ROA1   Fr= 1--    -430.124                -90.332                619.271
 CID1   Fr= 1--     -13.684                 -3.034                 65.917
 Raman2 Fr= 1--      13.227                 12.760                  3.993
 ROA2   Fr= 1--     -79.960                 -8.006                106.164
 CID2   Fr= 1--      -6.045                 -0.627                 26.591
 Raman3 Fr= 1--      26.453                 25.520                  7.985
 ROA3   Fr= 1--    -430.124                -90.332                619.271
 CID3   Fr= 1--     -16.260                 -3.540                 77.554
 RC180  Fr= 1--       0.683                  0.714                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.01    -0.04  -0.12   0.05     0.02   0.03  -0.17
     2   6     0.01  -0.04  -0.04     0.06   0.00  -0.02    -0.11  -0.00  -0.02
     3   6     0.00   0.01   0.00    -0.06   0.00  -0.03     0.00  -0.14   0.00
     4   6     0.09   0.03   0.03     0.02   0.05  -0.02     0.01  -0.09   0.00
     5   6    -0.06   0.05   0.01    -0.01  -0.03  -0.03     0.01   0.10   0.09
     6   6     0.02  -0.06  -0.01    -0.04   0.12   0.05    -0.02   0.03   0.17
     7   6    -0.01  -0.04   0.04     0.06  -0.00  -0.02     0.11  -0.00   0.02
     8   6     0.05   0.05  -0.01    -0.01   0.03  -0.03    -0.01   0.10  -0.09
     9   6    -0.09   0.03  -0.03     0.02  -0.05  -0.02    -0.01  -0.09  -0.00
    10   1     0.25  -0.18   0.21    -0.23  -0.08   0.42    -0.11   0.04   0.20
    11   1    -0.21   0.26  -0.03     0.26   0.13  -0.09     0.22   0.28  -0.29
    12   1    -0.18   0.04  -0.00    -0.25   0.10  -0.04     0.18  -0.14   0.02
    13   1     0.24  -0.15   0.22     0.15  -0.07   0.18    -0.09  -0.01  -0.14
    14   1     0.06  -0.03  -0.03    -0.02  -0.01   0.00     0.10   0.01   0.02
    15   1    -0.16   0.19  -0.09    -0.01  -0.06  -0.03    -0.08   0.24   0.00
    16   1     0.20   0.25   0.03     0.26  -0.13  -0.09    -0.22   0.28   0.29
    17   1    -0.24  -0.18  -0.21    -0.23   0.08   0.42     0.11   0.04  -0.20
    18   1    -0.05  -0.03   0.03    -0.02   0.01   0.00    -0.10   0.01  -0.02
    19   1     0.16   0.18   0.09    -0.01   0.06  -0.03     0.08   0.24  -0.00
    20   1     0.18   0.04   0.00    -0.25  -0.10  -0.04    -0.18  -0.14  -0.02
    21   1    -0.23  -0.14  -0.22     0.15   0.07   0.18     0.09  -0.01   0.14
                     19                     20                     21
                      A                      A                      A
 Frequencies --    928.4293               933.5933               966.3067
 Red. masses --      2.0379                 3.5645                 1.3546
 Frc consts  --      1.0350                 1.8305                 0.7453
 IR Inten    --      5.4253                23.0296                 0.8269
 RamAct Fr= 1--      0.2026                 1.8090                 3.3121
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7216
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8383
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0016
 Beta2  Fr= 1--      0.0289                 0.2584                 0.4628
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0077
 Gamma2 Fr= 1--      0.6884                 2.0359                -1.3828
 Delta2 Fr= 1--      0.1009                 0.9082                -0.7353
 Raman1 Fr= 1--       0.810                  7.236                 13.248
 ROA1   Fr= 1--      69.314                224.506               -156.280
 CID1   Fr= 1--      85.529                 31.026                -11.796
 Raman2 Fr= 1--       0.347                  3.101                  5.553
 ROA2   Fr= 1--      15.715                 41.595                -27.305
 CID2   Fr= 1--      45.245                 13.413                 -4.917
 Raman3 Fr= 1--       0.695                  6.202                 11.106
 ROA3   Fr= 1--      69.314                224.506               -156.280
 CID3   Fr= 1--      99.784                 36.198                -14.071
 RC180  Fr= 1--       0.714                  0.714                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.05    -0.08   0.03  -0.02    -0.00  -0.00   0.00
     2   6     0.03   0.03   0.10     0.06  -0.14   0.02    -0.02  -0.05  -0.04
     3   6     0.10   0.00   0.02     0.07  -0.00  -0.11    -0.00   0.03  -0.00
     4   6    -0.04   0.04  -0.04     0.08   0.11   0.18     0.01  -0.01   0.08
     5   6    -0.03  -0.13   0.01    -0.08  -0.07  -0.12     0.01   0.05  -0.04
     6   6    -0.00  -0.07  -0.05    -0.08  -0.03  -0.02     0.00  -0.00  -0.00
     7   6     0.03  -0.03   0.10     0.06   0.14   0.02     0.02  -0.05   0.04
     8   6    -0.03   0.13   0.01    -0.08   0.07  -0.12    -0.01   0.05   0.04
     9   6    -0.04  -0.04  -0.04     0.08  -0.11   0.18    -0.01  -0.01  -0.08
    10   1    -0.18   0.14  -0.04     0.02  -0.01  -0.00     0.21  -0.09  -0.03
    11   1     0.11   0.00  -0.06    -0.14   0.10  -0.03    -0.21   0.07   0.03
    12   1    -0.17   0.15  -0.03     0.34   0.02   0.20     0.32  -0.16   0.09
    13   1    -0.01   0.02   0.05    -0.07   0.29  -0.02    -0.13   0.15  -0.13
    14   1     0.33  -0.35  -0.02    -0.21  -0.02  -0.14    -0.26   0.21  -0.02
    15   1    -0.16   0.21  -0.17    -0.09  -0.15  -0.11     0.15  -0.21   0.12
    16   1     0.11  -0.00  -0.06    -0.14  -0.10  -0.03     0.21   0.07  -0.03
    17   1    -0.18  -0.14  -0.04     0.02   0.01  -0.00    -0.21  -0.09   0.03
    18   1     0.33   0.35  -0.02    -0.21   0.01  -0.14     0.26   0.21   0.02
    19   1    -0.16  -0.21  -0.17    -0.09   0.15  -0.11    -0.15  -0.21  -0.11
    20   1    -0.17  -0.15  -0.03     0.34  -0.02   0.20    -0.31  -0.16  -0.09
    21   1    -0.01  -0.02   0.05    -0.07  -0.29  -0.02     0.13   0.15   0.13
                     22                     23                     24
                      A                      A                      A
 Frequencies --    994.6179              1011.5672              1034.3408
 Red. masses --      2.8669                 1.2651                 1.2653
 Frc consts  --      1.6710                 0.7627                 0.7976
 IR Inten    --      2.9611                 1.9409                 5.3207
 RamAct Fr= 1--     54.8570                 0.6086                 3.1762
  Dep-P Fr= 1--      0.0265                 0.7500                 0.3757
  Dep-U Fr= 1--      0.0516                 0.8571                 0.5462
 Alpha2 Fr= 1--      1.1457                 0.0000                 0.0256
 Beta2  Fr= 1--      0.4715                 0.0869                 0.2891
 AlphaG Fr= 1--      0.0663                -0.0000                 0.0158
 Gamma2 Fr= 1--     -1.9670                -0.8276                -1.3047
 Delta2 Fr= 1--     -0.4008                -0.2948                -0.8485
 Raman1 Fr= 1--     219.428                  2.434                 12.705
 ROA1   Fr= 1--    -201.658                -88.881               -152.401
 CID1   Fr= 1--      -0.919                -36.511                -11.996
 Raman2 Fr= 1--       5.658                  1.043                  3.469
 ROA2   Fr= 1--     -44.002                -17.504                -24.523
 CID2   Fr= 1--      -7.776                -16.777                 -7.068
 Raman3 Fr= 1--      11.317                  2.087                  6.939
 ROA3   Fr= 1--    -201.658                -88.881               -152.401
 CID3   Fr= 1--     -17.819                -42.596                -21.963
 RC180  Fr= 1--      -0.897                  0.714                  0.092
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.08   0.12    -0.05   0.04   0.03    -0.05   0.01  -0.02
     2   6    -0.05   0.05  -0.03     0.01   0.00   0.01     0.00  -0.01  -0.00
     3   6     0.00   0.01  -0.00    -0.03  -0.00  -0.03    -0.00   0.02   0.00
     4   6    -0.08  -0.08  -0.13     0.00   0.05  -0.00    -0.01   0.06   0.02
     5   6     0.04   0.14   0.07    -0.04  -0.01  -0.04    -0.05  -0.01  -0.04
     6   6     0.00  -0.08  -0.12    -0.05  -0.04   0.03     0.05   0.01   0.02
     7   6     0.05   0.05   0.03     0.01  -0.00   0.01    -0.00  -0.01   0.00
     8   6    -0.04   0.14  -0.07    -0.04   0.01  -0.04     0.05  -0.01   0.04
     9   6     0.08  -0.08   0.13     0.00  -0.05  -0.00     0.01   0.06  -0.02
    10   1     0.13  -0.12   0.04     0.34  -0.10  -0.14     0.09  -0.06   0.06
    11   1    -0.09  -0.15   0.17     0.22  -0.18   0.03     0.31  -0.05  -0.08
    12   1    -0.15  -0.17  -0.16     0.01  -0.15  -0.03     0.15  -0.27  -0.01
    13   1     0.04  -0.28  -0.07     0.20  -0.28   0.07     0.15  -0.26  -0.01
    14   1     0.03   0.21   0.17     0.20  -0.05   0.14     0.24  -0.07   0.16
    15   1     0.20   0.03   0.21     0.18  -0.07   0.12     0.25  -0.07   0.16
    16   1     0.09  -0.15  -0.17     0.22   0.18   0.03    -0.31  -0.05   0.08
    17   1    -0.13  -0.12  -0.04     0.34   0.10  -0.14    -0.09  -0.06  -0.06
    18   1    -0.03   0.21  -0.17     0.20   0.05   0.14    -0.24  -0.07  -0.16
    19   1    -0.20   0.03  -0.21     0.18   0.07   0.12    -0.25  -0.07  -0.16
    20   1     0.15  -0.17   0.16     0.01   0.15  -0.03    -0.15  -0.27   0.01
    21   1    -0.04  -0.28   0.06     0.20   0.28   0.07    -0.15  -0.26   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1055.9424              1064.6377              1073.8942
 Red. masses --      1.3134                 1.5742                 1.3349
 Frc consts  --      0.8628                 1.0512                 0.9070
 IR Inten    --      6.3927                 2.2464                 0.3236
 RamAct Fr= 1--      2.2255                 1.0228                 2.7643
  Dep-P Fr= 1--      0.7500                 0.7500                 0.6785
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8084
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0035
 Beta2  Fr= 1--      0.3179                 0.1461                 0.3725
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0253
 Gamma2 Fr= 1--      0.0745                 0.9206                 0.3700
 Delta2 Fr= 1--      1.6738                 0.3397                -0.2897
 Raman1 Fr= 1--       8.902                  4.091                 11.057
 ROA1   Fr= 1--      60.711                 99.248                 26.252
 CID1   Fr= 1--       6.820                 24.260                  2.374
 Raman2 Fr= 1--       3.815                  1.753                  4.469
 ROA2   Fr= 1--     -11.603                 19.376                 11.199
 CID2   Fr= 1--      -3.041                 11.051                  2.506
 Raman3 Fr= 1--       7.630                  3.507                  8.939
 ROA3   Fr= 1--      60.711                 99.248                 26.252
 CID3   Fr= 1--       7.957                 28.303                  2.937
 RC180  Fr= 1--       0.714                  0.714                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.04    -0.09  -0.01  -0.06     0.10  -0.02  -0.01
     2   6    -0.01  -0.01  -0.00     0.01   0.04   0.02     0.00  -0.00   0.00
     3   6    -0.05  -0.00  -0.05     0.08  -0.00   0.11     0.00  -0.01   0.00
     4   6     0.05  -0.02  -0.01    -0.04  -0.04  -0.01    -0.02   0.05   0.00
     5   6     0.04  -0.02   0.03     0.03   0.00   0.00    -0.02  -0.01  -0.01
     6   6    -0.03  -0.04   0.04    -0.09   0.01  -0.06    -0.10  -0.02   0.01
     7   6    -0.01   0.01  -0.00     0.01  -0.04   0.02    -0.00  -0.00  -0.00
     8   6     0.04   0.02   0.03     0.03  -0.00   0.00     0.02  -0.01   0.01
     9   6     0.05   0.02  -0.01    -0.04   0.04  -0.01     0.02   0.05  -0.00
    10   1     0.21  -0.03  -0.18     0.31  -0.19   0.18    -0.36   0.16   0.00
    11   1     0.15  -0.19   0.06     0.36   0.11  -0.20    -0.44   0.14   0.07
    12   1    -0.22   0.31   0.00     0.08  -0.03   0.01     0.10  -0.20  -0.01
    13   1     0.03   0.10   0.13    -0.19   0.22  -0.08     0.08  -0.18  -0.03
    14   1    -0.22   0.03  -0.16    -0.14   0.06  -0.06     0.10  -0.04   0.06
    15   1    -0.25   0.02  -0.18     0.04  -0.05   0.02     0.07   0.02   0.04
    16   1     0.15   0.19   0.06     0.36  -0.11  -0.20     0.44   0.14  -0.07
    17   1     0.21   0.03  -0.18     0.31   0.19   0.18     0.36   0.16  -0.00
    18   1    -0.22  -0.03  -0.16    -0.14  -0.06  -0.06    -0.10  -0.04  -0.06
    19   1    -0.25  -0.02  -0.18     0.04   0.05   0.02    -0.07   0.02  -0.04
    20   1    -0.22  -0.31   0.00     0.08   0.03   0.01    -0.10  -0.20   0.01
    21   1     0.03  -0.10   0.13    -0.19  -0.22  -0.08    -0.08  -0.18   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1078.8696              1079.4291              1105.0154
 Red. masses --      1.4365                 1.4228                 1.7863
 Frc consts  --      0.9851                 0.9768                 1.2851
 IR Inten    --      0.5532                 0.7807                 3.7244
 RamAct Fr= 1--      0.4035                 1.1646                 0.9261
  Dep-P Fr= 1--      0.7500                 0.7227                 0.3535
  Dep-U Fr= 1--      0.8571                 0.8391                 0.5224
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0080
 Beta2  Fr= 1--      0.0576                 0.1629                 0.0806
 AlphaG Fr= 1--     -0.0000                 0.0034                -0.0104
 Gamma2 Fr= 1--      0.1240                -0.0299                 1.1278
 Delta2 Fr= 1--     -0.1677                -0.3945                -0.1498
 Raman1 Fr= 1--       1.614                  4.658                  3.704
 ROA1   Fr= 1--       6.541                -15.500                103.477
 CID1   Fr= 1--       4.052                 -3.327                 27.935
 Raman2 Fr= 1--       0.692                  1.954                  0.968
 ROA2   Fr= 1--       4.318                  2.438                 28.266
 CID2   Fr= 1--       6.242                  1.247                 29.215
 Raman3 Fr= 1--       1.383                  3.909                  1.935
 ROA3   Fr= 1--       6.541                -15.500                103.477
 CID3   Fr= 1--       4.728                 -3.966                 53.476
 RC180  Fr= 1--       0.714                  0.678                  0.045
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.02  -0.01  -0.00    -0.03  -0.11  -0.03
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.03   0.06
     3   6     0.01  -0.00   0.01    -0.00   0.01  -0.00     0.00   0.17   0.00
     4   6    -0.06   0.08  -0.01     0.06  -0.07   0.01    -0.00   0.00  -0.02
     5   6     0.08  -0.03   0.04    -0.08   0.03  -0.05     0.04  -0.02  -0.02
     6   6    -0.00   0.00  -0.00    -0.02  -0.01   0.00     0.03  -0.11   0.03
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.03  -0.06
     8   6     0.08   0.03   0.04     0.08   0.03   0.05    -0.04  -0.02   0.02
     9   6    -0.06  -0.08  -0.01    -0.06  -0.07  -0.01     0.00   0.00   0.02
    10   1    -0.00  -0.01   0.02    -0.10   0.04   0.01    -0.30  -0.05   0.39
    11   1    -0.01   0.02  -0.01    -0.06   0.02   0.01     0.14   0.23  -0.17
    12   1     0.18  -0.33  -0.03    -0.15   0.28   0.03    -0.06   0.02  -0.02
    13   1     0.14  -0.31  -0.03    -0.13   0.28   0.02    -0.00   0.04   0.05
    14   1    -0.28   0.05  -0.18     0.29  -0.05   0.20    -0.23   0.10  -0.09
    15   1    -0.25   0.05  -0.19     0.30  -0.06   0.22     0.10  -0.15   0.05
    16   1    -0.01  -0.02  -0.01     0.06   0.02  -0.01    -0.14   0.23   0.17
    17   1    -0.00   0.01   0.02     0.10   0.04  -0.01     0.30  -0.05  -0.39
    18   1    -0.28  -0.05  -0.18    -0.29  -0.05  -0.20     0.23   0.10   0.09
    19   1    -0.25  -0.05  -0.19    -0.30  -0.06  -0.22    -0.10  -0.15  -0.05
    20   1     0.18   0.33  -0.03     0.15   0.28  -0.03     0.06   0.02   0.02
    21   1     0.14   0.31  -0.03     0.13   0.28  -0.02     0.00   0.04  -0.05
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1121.5264              1131.0435              1170.6962
 Red. masses --      1.8731                 2.1068                 1.7698
 Frc consts  --      1.3881                 1.5879                 1.4291
 IR Inten    --      1.0555                 0.5233                 3.5380
 RamAct Fr= 1--      0.4137                 2.7052                 0.8566
  Dep-P Fr= 1--      0.7500                 0.7448                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8537                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.0591                 0.3849                 0.1224
 AlphaG Fr= 1--      0.0000                -0.0155                -0.0000
 Gamma2 Fr= 1--     -1.5102                -0.2423                -0.4083
 Delta2 Fr= 1--     -0.6915                 0.3950                 1.1409
 Raman1 Fr= 1--       1.655                 10.821                  3.426
 ROA1   Fr= 1--    -167.111                -10.620                 -2.689
 CID1   Fr= 1--    -100.993                 -0.981                 -0.785
 Raman2 Fr= 1--       0.709                  4.619                  1.468
 ROA2   Fr= 1--     -30.713                 -8.976                -18.927
 CID2   Fr= 1--     -43.310                 -1.943                -12.889
 Raman3 Fr= 1--       1.418                  9.238                  2.937
 ROA3   Fr= 1--    -167.111                -10.620                 -2.689
 CID3   Fr= 1--    -117.825                 -1.150                 -0.916
 RC180  Fr= 1--       0.714                  0.707                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.02    -0.02  -0.02  -0.05    -0.03  -0.04   0.06
     2   6    -0.02  -0.10  -0.12     0.08   0.14   0.09     0.09   0.06  -0.06
     3   6     0.08  -0.00   0.08    -0.00  -0.11  -0.00    -0.02  -0.00  -0.09
     4   6     0.01  -0.01   0.03    -0.06  -0.01  -0.03    -0.07  -0.04   0.05
     5   6    -0.03   0.06   0.04    -0.00  -0.06  -0.01     0.01   0.01   0.00
     6   6    -0.02  -0.03   0.02     0.02  -0.02   0.05    -0.03   0.04   0.06
     7   6    -0.02   0.10  -0.12    -0.08   0.14  -0.09     0.09  -0.06  -0.06
     8   6    -0.03  -0.06   0.04     0.00  -0.06   0.01     0.01  -0.01   0.00
     9   6     0.01   0.01   0.03     0.06  -0.01   0.03    -0.07   0.04   0.05
    10   1    -0.30   0.14  -0.03     0.42  -0.21   0.09     0.16  -0.11   0.01
    11   1     0.45  -0.26  -0.01    -0.29   0.27  -0.06    -0.08  -0.01   0.07
    12   1     0.08  -0.09   0.02     0.06  -0.08  -0.02     0.19   0.11   0.10
    13   1    -0.02  -0.01  -0.06    -0.13   0.12  -0.05    -0.16  -0.05  -0.25
    14   1     0.11  -0.03   0.03     0.07  -0.08   0.02     0.29  -0.04   0.20
    15   1    -0.12   0.18  -0.04     0.09   0.02   0.03    -0.30   0.09  -0.22
    16   1     0.45   0.26  -0.01     0.28   0.26   0.06    -0.08   0.02   0.07
    17   1    -0.30  -0.14  -0.03    -0.42  -0.21  -0.09     0.16   0.11   0.01
    18   1     0.11   0.03   0.03    -0.07  -0.08  -0.02     0.29   0.04   0.20
    19   1    -0.12  -0.18  -0.04    -0.09   0.02  -0.03    -0.30  -0.09  -0.22
    20   1     0.08   0.09   0.02    -0.06  -0.08   0.02     0.19  -0.11   0.10
    21   1    -0.02   0.01  -0.06     0.13   0.12   0.05    -0.16   0.05  -0.25
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1178.5041              1178.5411              1188.2199
 Red. masses --      1.3389                 1.5148                 2.0825
 Frc consts  --      1.0956                 1.2396                 1.7324
 IR Inten    --      0.3003                 1.2186                 1.9474
 RamAct Fr= 1--      0.8321                 0.0665                 1.2621
  Dep-P Fr= 1--      0.5864                 0.7060                 0.2240
  Dep-U Fr= 1--      0.7393                 0.8277                 0.3660
 Alpha2 Fr= 1--      0.0025                 0.0001                 0.0161
 Beta2  Fr= 1--      0.1025                 0.0092                 0.0770
 AlphaG Fr= 1--     -0.0016                -0.0000                -0.0402
 Gamma2 Fr= 1--     -0.5290                 0.3268                 0.3704
 Delta2 Fr= 1--     -0.3221                -0.0239                -0.0238
 Raman1 Fr= 1--       3.328                  0.266                  5.049
 ROA1   Fr= 1--     -61.088                 30.612                 34.794
 CID1   Fr= 1--     -18.353                115.078                  6.892
 Raman2 Fr= 1--       1.230                  0.110                  0.924
 ROA2   Fr= 1--     -10.118                  8.035                  9.079
 CID2   Fr= 1--      -8.223                 72.991                  9.826
 Raman3 Fr= 1--       2.461                  0.220                  1.848
 ROA3   Fr= 1--     -61.088                 30.612                 34.794
 CID3   Fr= 1--     -24.825                139.036                 18.828
 RC180  Fr= 1--       0.479                  0.655                 -0.268
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02    -0.01  -0.01   0.04    -0.01  -0.07   0.05
     2   6    -0.03  -0.00   0.04     0.05   0.03  -0.03     0.10   0.05  -0.13
     3   6     0.00  -0.01   0.01    -0.03  -0.00  -0.07     0.00   0.10  -0.00
     4   6    -0.04  -0.02   0.05     0.02   0.01  -0.04    -0.05  -0.04   0.06
     5   6     0.06   0.03  -0.08    -0.05  -0.03   0.07    -0.01   0.00   0.02
     6   6     0.00   0.00   0.01    -0.01   0.02   0.05     0.01  -0.07  -0.05
     7   6     0.01   0.00  -0.03     0.06  -0.03  -0.05    -0.10   0.05   0.13
     8   6    -0.05   0.02   0.06    -0.06   0.03   0.09     0.01   0.00  -0.02
     9   6     0.04  -0.02  -0.04     0.03  -0.01  -0.05     0.05  -0.04  -0.06
    10   1     0.03  -0.01   0.02     0.08  -0.04  -0.03    -0.12  -0.03   0.10
    11   1    -0.04   0.05  -0.03    -0.06  -0.03   0.06     0.11   0.01  -0.00
    12   1    -0.03   0.39   0.11     0.06  -0.29  -0.07     0.27  -0.03   0.10
    13   1     0.07  -0.37  -0.16    -0.09   0.29   0.08    -0.21   0.10  -0.22
    14   1     0.14   0.18   0.29    -0.04  -0.17  -0.18     0.28  -0.12   0.12
    15   1    -0.19  -0.25  -0.18     0.10   0.23   0.10    -0.26   0.16  -0.18
    16   1     0.06   0.04   0.01    -0.05   0.05   0.07    -0.11   0.01   0.00
    17   1    -0.05  -0.02  -0.01     0.07   0.04  -0.03     0.12  -0.03  -0.10
    18   1    -0.12   0.13  -0.23    -0.07   0.21  -0.26    -0.28  -0.12  -0.12
    19   1     0.16  -0.18   0.14     0.15  -0.29   0.15     0.26   0.16   0.18
    20   1     0.02   0.30  -0.09     0.06   0.39  -0.10    -0.27  -0.03  -0.10
    21   1    -0.05  -0.28   0.13    -0.11  -0.39   0.12     0.21   0.10   0.22
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1249.0794              1424.4106              1453.8704
 Red. masses --      4.4486                 1.4867                 1.1026
 Frc consts  --      4.0894                 1.7772                 1.3732
 IR Inten    --      1.2360                 0.3157                 0.9698
 RamAct Fr= 1--      1.9860                10.4064                12.5150
  Dep-P Fr= 1--      0.7500                 0.3129                 0.7500
  Dep-U Fr= 1--      0.8571                 0.4766                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.1027                 0.0000
 Beta2  Fr= 1--      0.2837                 0.8267                 1.7879
 AlphaG Fr= 1--      0.0000                 0.0428                 0.0000
 Gamma2 Fr= 1--      1.6309                 5.0307                -6.1206
 Delta2 Fr= 1--      1.1451                 1.2253                -2.1109
 Raman1 Fr= 1--       7.944                 41.625                 50.060
 ROA1   Fr= 1--     193.206                522.154               -655.127
 CID1   Fr= 1--      24.321                 12.544                -13.087
 Raman2 Fr= 1--       3.405                  9.920                 21.454
 ROA2   Fr= 1--      29.980                110.934               -130.007
 CID2   Fr= 1--       8.806                 11.183                 -6.060
 Raman3 Fr= 1--       6.809                 19.840                 42.908
 ROA3   Fr= 1--     193.206                522.154               -655.127
 CID3   Fr= 1--      28.375                 26.318                -15.268
 RC180  Fr= 1--       0.714                 -0.047                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.00   0.05     0.02  -0.00  -0.00     0.00   0.03  -0.04
     2   6     0.07  -0.15   0.14    -0.10   0.09  -0.05    -0.02   0.02  -0.01
     3   6     0.27   0.00  -0.24    -0.00  -0.03   0.00     0.04   0.00  -0.02
     4   6    -0.08  -0.03  -0.11     0.01  -0.00   0.01    -0.00  -0.00  -0.00
     5   6    -0.00   0.13   0.03     0.01  -0.02  -0.00     0.00   0.01   0.01
     6   6    -0.08  -0.00   0.05    -0.02  -0.00   0.00     0.00  -0.03  -0.04
     7   6     0.07   0.15   0.14     0.10   0.09   0.05    -0.02  -0.02  -0.01
     8   6    -0.00  -0.13   0.03    -0.01  -0.02   0.00     0.00  -0.01   0.01
     9   6    -0.08   0.03  -0.11    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    10   1    -0.03  -0.03   0.09     0.03  -0.05   0.29     0.05  -0.06   0.46
    11   1    -0.12  -0.07   0.09    -0.09  -0.27   0.11    -0.14  -0.42   0.14
    12   1    -0.31  -0.03  -0.15     0.25   0.11   0.07     0.08   0.03   0.02
    13   1    -0.06  -0.11  -0.14     0.09   0.02   0.26     0.02   0.01   0.08
    14   1    -0.15   0.27   0.12     0.10  -0.18  -0.17     0.05  -0.08  -0.10
    15   1     0.07   0.17   0.09    -0.05  -0.26   0.01    -0.04  -0.13   0.01
    16   1    -0.12   0.07   0.09     0.09  -0.27  -0.11    -0.14   0.42   0.14
    17   1    -0.03   0.03   0.09    -0.03  -0.05  -0.29     0.05   0.06   0.46
    18   1    -0.15  -0.27   0.12    -0.10  -0.18   0.17     0.05   0.08  -0.10
    19   1     0.07  -0.17   0.09     0.05  -0.26  -0.01    -0.04   0.13   0.01
    20   1    -0.31   0.03  -0.15    -0.25   0.11  -0.07     0.08  -0.03   0.02
    21   1    -0.06   0.11  -0.14    -0.09   0.02  -0.26     0.02  -0.01   0.08
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1466.5217              1467.0641              1480.7037
 Red. masses --      1.0899                 1.0894                 1.1590
 Frc consts  --      1.3811                 1.3815                 1.4972
 IR Inten    --      1.5572                 1.7148                 0.0285
 RamAct Fr= 1--      2.7091                16.4694                 5.4836
  Dep-P Fr= 1--      0.7500                 0.7476                 0.3773
  Dep-U Fr= 1--      0.8571                 0.8556                 0.5479
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0440
 Beta2  Fr= 1--      0.3870                 2.3485                 0.5007
 AlphaG Fr= 1--      0.0000                 0.0152                -0.0507
 Gamma2 Fr= 1--      1.6697                 0.2598                -0.2494
 Delta2 Fr= 1--     -0.3073                 1.9579                -0.2427
 Raman1 Fr= 1--      10.837                 65.878                 21.935
 ROA1   Fr= 1--     150.459                 87.598                -31.705
 CID1   Fr= 1--      13.884                  1.330                 -1.445
 Raman2 Fr= 1--       4.644                 28.182                  6.009
 ROA2   Fr= 1--      42.532                 -9.427                 -4.043
 CID2   Fr= 1--       9.158                 -0.335                 -0.673
 Raman3 Fr= 1--       9.288                 56.364                 12.018
 ROA3   Fr= 1--     150.459                 87.598                -31.705
 CID3   Fr= 1--      16.199                  1.554                 -2.638
 RC180  Fr= 1--       0.714                  0.711                  0.096
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.04   0.05
     2   6    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01    -0.03   0.02  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.02   0.00
     4   6    -0.03  -0.02  -0.03    -0.03  -0.02  -0.03    -0.01  -0.00  -0.01
     5   6    -0.00  -0.04  -0.02    -0.00  -0.04  -0.02    -0.00   0.01   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.04  -0.05
     7   6    -0.00   0.00  -0.01     0.00  -0.01   0.01     0.03   0.02   0.00
     8   6    -0.00   0.04  -0.02     0.00  -0.04   0.02     0.00   0.01  -0.00
     9   6    -0.03   0.02  -0.03     0.03  -0.02   0.03     0.01  -0.00   0.01
    10   1    -0.00  -0.00   0.03    -0.01   0.00   0.01    -0.03   0.03  -0.43
    11   1    -0.00  -0.03   0.01     0.00  -0.02   0.00     0.13   0.39  -0.11
    12   1     0.32   0.17   0.05     0.30   0.16   0.05     0.17   0.08   0.03
    13   1     0.08   0.02   0.35     0.07   0.02   0.33     0.06  -0.01   0.19
    14   1    -0.12   0.19   0.25    -0.14   0.20   0.27     0.07  -0.09  -0.11
    15   1     0.10   0.32  -0.03     0.10   0.35  -0.04    -0.03  -0.16   0.03
    16   1    -0.00   0.03   0.01    -0.00  -0.02  -0.00    -0.13   0.39   0.11
    17   1    -0.00   0.00   0.04     0.01   0.00  -0.01     0.03   0.03   0.43
    18   1    -0.13  -0.19   0.26     0.14   0.20  -0.27    -0.07  -0.09   0.11
    19   1     0.10  -0.32  -0.03    -0.10   0.34   0.04     0.03  -0.16  -0.03
    20   1     0.32  -0.17   0.05    -0.30   0.16  -0.04    -0.17   0.08  -0.03
    21   1     0.08  -0.02   0.36    -0.07   0.02  -0.33    -0.06  -0.01  -0.19
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1492.7743              1536.1198              1653.5693
 Red. masses --      1.2224                 2.6872                 9.3190
 Frc consts  --      1.6050                 3.7360                15.0129
 IR Inten    --      0.7508                 0.0817                 0.3581
 RamAct Fr= 1--      0.3265                 3.8715                 1.9072
  Dep-P Fr= 1--      0.7500                 0.2144                 0.7500
  Dep-U Fr= 1--      0.8571                 0.3531                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0506                 0.0000
 Beta2  Fr= 1--      0.0466                 0.2278                 0.2725
 AlphaG Fr= 1--     -0.0000                -0.0524                -0.0000
 Gamma2 Fr= 1--      0.0426                 0.4042                -0.0934
 Delta2 Fr= 1--      0.0279                -0.1127                 1.2510
 Raman1 Fr= 1--       1.306                 15.486                  7.629
 ROA1   Fr= 1--       4.982                 35.196                 31.065
 CID1   Fr= 1--       3.815                  2.273                  4.072
 Raman2 Fr= 1--       0.560                  2.734                  3.269
 ROA2   Fr= 1--       0.800                 10.602                -12.249
 CID2   Fr= 1--       1.429                  3.878                 -3.747
 Raman3 Fr= 1--       1.119                  5.468                  6.539
 ROA3   Fr= 1--       4.982                 35.196                 31.065
 CID3   Fr= 1--       4.451                  6.437                  4.751
 RC180  Fr= 1--       0.714                 -0.294                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.03     0.00  -0.05   0.05    -0.03  -0.12   0.15
     2   6     0.00   0.01  -0.01    -0.15   0.12  -0.06    -0.33   0.23  -0.08
     3   6    -0.05  -0.00   0.02    -0.00  -0.03   0.00     0.48   0.00  -0.21
     4   6     0.04   0.01   0.04     0.09   0.02   0.08     0.09   0.02   0.08
     5   6     0.01  -0.06  -0.02     0.02  -0.11  -0.04     0.03  -0.11  -0.04
     6   6     0.01  -0.02  -0.03    -0.00  -0.05  -0.05    -0.03   0.12   0.15
     7   6     0.00  -0.01  -0.01     0.15   0.12   0.06    -0.33  -0.23  -0.08
     8   6     0.01   0.06  -0.02    -0.02  -0.11   0.04     0.03   0.11  -0.04
     9   6     0.04  -0.01   0.04    -0.09   0.02  -0.08     0.09  -0.02   0.08
    10   1     0.04  -0.01   0.16     0.00  -0.03  -0.14    -0.07  -0.08  -0.14
    11   1    -0.04  -0.15   0.04     0.07   0.12  -0.01     0.07   0.16   0.06
    12   1    -0.29  -0.14  -0.03    -0.27  -0.14   0.01    -0.09  -0.07   0.05
    13   1    -0.07  -0.00  -0.32    -0.01  -0.00  -0.31     0.06  -0.01  -0.10
    14   1    -0.14   0.18   0.25    -0.14   0.13   0.25    -0.06   0.00   0.11
    15   1     0.09   0.32  -0.05     0.12   0.28  -0.07     0.09   0.06  -0.04
    16   1    -0.04   0.15   0.04    -0.07   0.12   0.01     0.07  -0.16   0.06
    17   1     0.04   0.01   0.16    -0.00  -0.03   0.14    -0.07   0.08  -0.14
    18   1    -0.14  -0.18   0.25     0.14   0.13  -0.25    -0.06  -0.00   0.11
    19   1     0.09  -0.32  -0.05    -0.12   0.28   0.07     0.09  -0.06  -0.04
    20   1    -0.29   0.14  -0.03     0.27  -0.14  -0.01    -0.09   0.07   0.05
    21   1    -0.07   0.00  -0.32     0.01  -0.00   0.31     0.06   0.01  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3099.5500              3099.6413              3115.5248
 Red. masses --      1.0520                 1.0517                 1.0498
 Frc consts  --      5.9550                 5.9532                 6.0039
 IR Inten    --     32.9646                19.6260                35.9282
 RamAct Fr= 1--     25.3255               326.7350                21.8378
  Dep-P Fr= 1--      0.7400                 0.0281                 0.7478
  Dep-U Fr= 1--      0.8506                 0.0547                 0.8557
 Alpha2 Fr= 1--      0.0043                 6.7975                 0.0008
 Beta2  Fr= 1--      3.5903                 2.9783                 3.1145
 AlphaG Fr= 1--     -0.0005                -0.8317                 0.0005
 Gamma2 Fr= 1--    -24.7256                21.5659               -12.2989
 Delta2 Fr= 1--      1.8003                 5.5725               -12.0047
 Raman1 Fr= 1--     101.302               1306.940                 87.351
 ROA1   Fr= 1--   -2316.047               2248.642              -1564.842
 CID1   Fr= 1--     -22.863                  1.721                -17.914
 Raman2 Fr= 1--      43.084                 35.740                 37.374
 ROA2   Fr= 1--    -607.817                473.001               -199.136
 CID2   Fr= 1--     -14.108                 13.235                 -5.328
 Raman3 Fr= 1--      86.168                 71.479                 74.748
 ROA3   Fr= 1--   -2316.047               2248.642              -1564.842
 CID3   Fr= 1--     -26.878                 31.459                -20.935
 RC180  Fr= 1--       0.701                 -0.891                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.04    -0.01  -0.03   0.04     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.01  -0.03
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.01
     6   6     0.00  -0.03  -0.04     0.01  -0.03  -0.04     0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.02  -0.01
     9   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.03
    10   1    -0.18  -0.46  -0.06     0.18   0.44   0.06    -0.00  -0.00  -0.00
    11   1     0.12   0.15   0.49    -0.12  -0.14  -0.46     0.00   0.00   0.00
    12   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.07  -0.07   0.44
    13   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.37   0.19  -0.12
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.12   0.20  -0.11
    15   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.14   0.05   0.21
    16   1     0.12  -0.14   0.46     0.12  -0.15   0.49     0.00  -0.00   0.00
    17   1    -0.17   0.44  -0.06    -0.18   0.46  -0.06    -0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.11  -0.19  -0.11
    19   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.13  -0.05   0.20
    20   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.06   0.06   0.42
    21   1    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.35  -0.18  -0.11
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3115.7149              3117.8851              3119.5406
 Red. masses --      1.0503                 1.0557                 1.0554
 Frc consts  --      6.0075                 6.0468                 6.0511
 IR Inten    --     10.5098                22.2131                24.0314
 RamAct Fr= 1--    171.0458                 1.0079               482.9365
  Dep-P Fr= 1--      0.2331                 0.5010                 0.0142
  Dep-U Fr= 1--      0.3781                 0.6675                 0.0280
 Alpha2 Fr= 1--      2.1242                 0.0050                10.3812
 Beta2  Fr= 1--     10.7796                 0.1121                 2.2546
 AlphaG Fr= 1--      1.0030                 0.0006                 0.6813
 Gamma2 Fr= 1--     18.4780                 2.2957                -7.1983
 Delta2 Fr= 1--      6.0142                 2.0302                 5.6701
 Raman1 Fr= 1--     684.183                  4.032               1931.746
 ROA1   Fr= 1--    1966.343                285.349               -509.591
 CID1   Fr= 1--       2.874                 70.779                 -0.264
 Raman2 Fr= 1--     129.355                  1.346                 27.055
 ROA2   Fr= 1--     395.358                 38.855               -218.120
 CID2   Fr= 1--       3.056                 28.875                 -8.062
 Raman3 Fr= 1--     258.710                  2.691                 54.111
 ROA3   Fr= 1--    1966.343                285.349               -509.591
 CID3   Fr= 1--       7.601                106.030                 -9.418
 RC180  Fr= 1--      -0.244                  0.335                 -0.944
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.03   0.01   0.03     0.02   0.01   0.02    -0.01  -0.01  -0.01
     5   6    -0.00   0.01   0.01     0.00  -0.04  -0.02    -0.00   0.04   0.02
     6   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.02  -0.01     0.00   0.04  -0.01     0.00   0.04  -0.02
     9   6    -0.03   0.01  -0.03     0.02  -0.01   0.02     0.01  -0.01   0.01
    10   1    -0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1     0.07   0.07  -0.44     0.04   0.04  -0.26    -0.03  -0.03   0.19
    13   1    -0.37  -0.19   0.12    -0.21  -0.11   0.07     0.16   0.08  -0.05
    14   1    -0.09  -0.15   0.08     0.20   0.34  -0.19    -0.20  -0.34   0.19
    15   1     0.10  -0.04  -0.16    -0.24   0.08   0.36     0.25  -0.08  -0.38
    16   1    -0.00   0.00  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    17   1     0.00  -0.01   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.09  -0.15  -0.09     0.19  -0.33  -0.18     0.21  -0.35  -0.20
    19   1    -0.11  -0.04   0.17    -0.23  -0.08   0.35    -0.26  -0.09   0.39
    20   1    -0.07   0.07   0.47     0.04  -0.04  -0.24     0.03  -0.03  -0.20
    21   1     0.39  -0.21  -0.13    -0.20   0.11   0.07    -0.17   0.09   0.06
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3178.8062              3179.3213              3188.6161
 Red. masses --      1.1177                 1.1167                 1.1189
 Frc consts  --      6.6541                 6.6508                 6.7027
 IR Inten    --     11.5452                 9.6999                 0.1028
 RamAct Fr= 1--    137.2325                29.8599                58.5323
  Dep-P Fr= 1--      0.7320                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8453                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0422                 0.0000                 0.0000
 Beta2  Fr= 1--     19.3336                 4.2657                 8.3618
 AlphaG Fr= 1--     -0.0475                -0.0000                 0.0000
 Gamma2 Fr= 1--      6.6948               -17.8404                29.8619
 Delta2 Fr= 1--     -4.9031                -1.5076                45.3888
 Raman1 Fr= 1--     548.930                119.439                234.129
 ROA1   Fr= 1--     485.807              -1760.924               4319.180
 CID1   Fr= 1--       0.885                -14.743                 18.448
 Raman2 Fr= 1--     232.003                 51.188                100.341
 ROA2   Fr= 1--     199.901               -416.109                353.574
 CID2   Fr= 1--       0.862                 -8.129                  3.524
 Raman3 Fr= 1--     464.007                102.377                200.682
 ROA3   Fr= 1--     485.807              -1760.924               4319.180
 CID3   Fr= 1--       1.047                -17.200                 21.522
 RC180  Fr= 1--       0.691                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.04     0.02   0.05   0.04    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.03   0.02  -0.04
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.04
     6   6     0.02  -0.05   0.04     0.02  -0.05   0.04    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03   0.02   0.03
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.02  -0.04
    10   1     0.19   0.47   0.05    -0.19  -0.47  -0.05     0.01   0.03   0.00
    11   1     0.11   0.13   0.45    -0.11  -0.13  -0.45     0.01   0.01   0.03
    12   1     0.00   0.00  -0.01    -0.00  -0.00   0.02    -0.04  -0.05   0.36
    13   1     0.01   0.00  -0.00    -0.02  -0.01   0.01    -0.33  -0.17   0.10
    14   1    -0.01  -0.01   0.00     0.01   0.01  -0.01     0.15   0.27  -0.14
    15   1    -0.01   0.00   0.01     0.01  -0.00  -0.01     0.18  -0.07  -0.28
    16   1    -0.11   0.13  -0.45    -0.11   0.13  -0.45     0.01  -0.01   0.03
    17   1    -0.19   0.47  -0.05    -0.19   0.47  -0.05     0.01  -0.03   0.00
    18   1     0.01  -0.01  -0.00     0.01  -0.01  -0.01     0.15  -0.26  -0.14
    19   1     0.01   0.00  -0.01     0.01   0.00  -0.01     0.18   0.07  -0.27
    20   1    -0.00   0.00   0.01    -0.00   0.00   0.02    -0.04   0.05   0.35
    21   1    -0.01   0.00   0.00    -0.02   0.01   0.01    -0.32   0.16   0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3189.3494              3202.4768              3203.3691
 Red. masses --      1.1190                 1.1163                 1.1163
 Frc consts  --      6.7064                 6.7451                 6.7490
 IR Inten    --      0.0902                35.7568                 4.1702
 RamAct Fr= 1--    102.0758                31.0751               106.5207
  Dep-P Fr= 1--      0.7467                 0.7498                 0.6834
  Dep-U Fr= 1--      0.8550                 0.8570                 0.8120
 Alpha2 Fr= 1--      0.0057                 0.0001                 0.1248
 Beta2  Fr= 1--     14.5457                 4.4386                14.4151
 AlphaG Fr= 1--      0.1367                -0.0002                -0.3763
 Gamma2 Fr= 1--    -19.2902                10.1145               -13.7092
 Delta2 Fr= 1--    -39.5523                 1.4633                -8.2110
 Raman1 Fr= 1--     408.303                124.300                426.083
 ROA1   Fr= 1--   -3117.538               1017.821              -1578.835
 CID1   Fr= 1--      -7.635                  8.188                 -3.705
 Raman2 Fr= 1--     174.548                 53.263                172.982
 ROA2   Fr= 1--    -146.547                231.042               -263.332
 CID2   Fr= 1--      -0.840                  4.338                 -1.522
 Raman3 Fr= 1--     349.096                106.526                345.963
 ROA3   Fr= 1--   -3117.538               1017.821              -1578.835
 CID3   Fr= 1--      -8.930                  9.555                 -4.564
 RC180  Fr= 1--       0.710                  0.714                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.03  -0.02   0.04     0.03   0.02  -0.04    -0.03  -0.02   0.03
     5   6     0.03   0.02  -0.03     0.03   0.02  -0.04    -0.03  -0.02   0.04
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.03   0.02   0.03     0.03  -0.02  -0.04     0.03  -0.02  -0.04
     9   6     0.03  -0.02  -0.04     0.03  -0.02  -0.03     0.03  -0.02  -0.03
    10   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.05   0.05  -0.36    -0.04  -0.04   0.33     0.04   0.04  -0.29
    13   1     0.33   0.17  -0.10    -0.30  -0.16   0.09     0.27   0.14  -0.08
    14   1    -0.14  -0.25   0.13    -0.17  -0.30   0.15     0.17   0.30  -0.16
    15   1    -0.16   0.06   0.24    -0.20   0.08   0.31     0.19  -0.08  -0.30
    16   1     0.00  -0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    17   1     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    18   1     0.15  -0.26  -0.14    -0.16   0.28   0.15    -0.18   0.32   0.17
    19   1     0.17   0.06  -0.25    -0.19  -0.08   0.29    -0.21  -0.08   0.32
    20   1    -0.05   0.05   0.38    -0.04   0.04   0.32    -0.04   0.04   0.31
    21   1    -0.35   0.18   0.10    -0.28   0.15   0.08    -0.28   0.15   0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Molecular mass:   120.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   570.081161550.720471674.13617
           X            1.00000  -0.00000   0.00147
           Y            0.00000   1.00000   0.00001
           Z           -0.00147  -0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.15193     0.05585     0.05174
 Rotational constants (GHZ):           3.16576     1.16381     1.07801
 Zero-point vibrational energy     476933.7 (Joules/Mol)
                                  113.98989 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    134.36   182.89   196.74   351.05   375.60
          (Kelvin)            445.58   578.64   612.88   663.73   814.25
                              899.12   951.58  1138.85  1145.25  1239.69
                             1240.27  1261.42  1304.13  1335.80  1343.23
                             1390.30  1431.03  1455.42  1488.19  1519.27
                             1531.78  1545.09  1552.25  1553.06  1589.87
                             1613.63  1627.32  1684.37  1695.60  1695.66
                             1709.58  1797.15  2049.41  2091.80  2110.00
                             2110.78  2130.40  2147.77  2210.13  2379.12
                             4459.56  4459.69  4482.55  4482.82  4485.94
                             4488.32  4573.59  4574.33  4587.71  4588.76
                             4607.65  4608.93
 
 Zero-point correction=                           0.181654 (Hartree/Particle)
 Thermal correction to Energy=                    0.190239
 Thermal correction to Enthalpy=                  0.191183
 Thermal correction to Gibbs Free Energy=         0.148598
 Sum of electronic and zero-point Energies=           -350.002429
 Sum of electronic and thermal Energies=              -349.993845
 Sum of electronic and thermal Enthalpies=            -349.992901
 Sum of electronic and thermal Free Energies=         -350.035486
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  119.377             34.007             89.627
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.264
 Rotational               0.889              2.981             28.783
 Vibrational            117.599             28.046             20.580
 Vibration     1          0.602              1.954              3.588
 Vibration     2          0.611              1.926              2.989
 Vibration     3          0.614              1.917              2.849
 Vibration     4          0.659              1.773              1.774
 Vibration     5          0.669              1.744              1.655
 Vibration     6          0.699              1.655              1.364
 Vibration     7          0.768              1.465              0.955
 Vibration     8          0.788              1.414              0.872
 Vibration     9          0.819              1.336              0.762
 Vibration    10          0.922              1.105              0.512
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.446408D-68        -68.350268       -157.382309
 Total V=0       0.160291D+16         15.204909         35.010597
 Vib (Bot)       0.198162D-81        -81.702980       -188.128064
 Vib (Bot)    1  0.220033D+01          0.342487          0.788606
 Vib (Bot)    2  0.160498D+01          0.205469          0.473109
 Vib (Bot)    3  0.148829D+01          0.172688          0.397630
 Vib (Bot)    4  0.802154D+00         -0.095742         -0.220454
 Vib (Bot)    5  0.743632D+00         -0.128642         -0.296209
 Vib (Bot)    6  0.610686D+00         -0.214182         -0.493173
 Vib (Bot)    7  0.442478D+00         -0.354108         -0.815363
 Vib (Bot)    8  0.410320D+00         -0.386877         -0.890817
 Vib (Bot)    9  0.368302D+00         -0.433796         -0.998851
 Vib (Bot)   10  0.273044D+00         -0.563768         -1.298123
 Vib (V=0)       0.711537D+02          1.852198          4.264843
 Vib (V=0)    1  0.275642D+01          0.440346          1.013933
 Vib (V=0)    2  0.218106D+01          0.338667          0.779809
 Vib (V=0)    3  0.207004D+01          0.315978          0.727566
 Vib (V=0)    4  0.144523D+01          0.159936          0.368265
 Vib (V=0)    5  0.139610D+01          0.144915          0.333680
 Vib (V=0)    6  0.128926D+01          0.110342          0.254071
 Vib (V=0)    7  0.116767D+01          0.067321          0.155013
 Vib (V=0)    8  0.114681D+01          0.059491          0.136984
 Vib (V=0)    9  0.112100D+01          0.049607          0.114225
 Vib (V=0)   10  0.106970D+01          0.029260          0.067374
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.517291D+08          7.713735         17.761532
 Rotational      0.435488D+06          5.638976         12.984222
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002690   -0.000000025   -0.000003013
      2        6          -0.000010787    0.000002749   -0.000006732
      3        6          -0.000008720   -0.000003790    0.000000425
      4        6           0.000000523   -0.000002350    0.000000264
      5        6          -0.000001810   -0.000008512    0.000004790
      6        6           0.000003730    0.000003953    0.000001422
      7        6           0.000003639   -0.000008569    0.000001357
      8        6          -0.000000251    0.000005298    0.000002184
      9        6          -0.000001978    0.000003708   -0.000001924
     10        1          -0.000000622   -0.000001406   -0.000001763
     11        1          -0.000008655    0.000004148   -0.000000368
     12        1           0.000003258   -0.000001417    0.000001135
     13        1           0.000002002   -0.000001139    0.000000197
     14        1           0.000013019    0.000005065   -0.000000252
     15        1           0.000000226    0.000003159   -0.000000979
     16        1           0.000004670   -0.000000735    0.000000630
     17        1           0.000000490    0.000000261    0.000003792
     18        1           0.000000722   -0.000001659    0.000001403
     19        1          -0.000002399    0.000001534   -0.000000159
     20        1          -0.000000664   -0.000002243   -0.000001158
     21        1           0.000000917    0.000001972   -0.000001250
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013019 RMS     0.000003867
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.122740D+03 -0.383919D-03  0.157439D+01
      2  -0.383919D-03  0.998373D+02  0.119494D-03
      3   0.157439D+01  0.119494D-03  0.945060D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.811476D+01 -0.248539D-03  0.183219D+01
      2  -0.183719D-02 -0.261693D+01  0.366156D-02
      3   0.254588D+02 -0.380340D-03 -0.366173D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.176286D-01 -0.267469D+02 -0.395343D-02
      2   0.550934D-02 -0.817684D+01 -0.110706D-01
      3   0.121193D-01  0.349238D+02  0.150240D-01
      4  -0.289270D+02 -0.109277D-02 -0.119323D+01
      5  -0.261315D-02  0.208858D+01  0.128491D-01
      6  -0.222147D+01 -0.127743D-01  0.172136D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.333998D+01  0.307213D+01 -0.525404D+01 -0.111676D+01 -0.329172D+01
      2   0.307213D+01 -0.434180D+01  0.972091D+00 -0.329172D+01 -0.269294D+01
      3  -0.525404D+01  0.972091D+00  0.275335D+01  0.192165D+01 -0.115507D+01
                 6             7             8             9            10 
      1   0.192165D+01 -0.186950D+01 -0.113019D+01  0.181957D+01  0.145686D+00
      2  -0.115507D+01 -0.113019D+01 -0.246154D+01  0.210057D+01  0.679223D+00
      3   0.311365D+01  0.181957D+01  0.210057D+01  0.294433D+01 -0.130667D+01
                11            12            13            14            15 
      1   0.679223D+00 -0.130667D+01  0.227732D+01 -0.875582D+00 -0.290696D+01
      2   0.186274D+00  0.766953D+00 -0.875582D+00  0.106246D+01  0.110809D+01
      3   0.766953D+00 -0.132168D+00 -0.290696D+01  0.110809D+01 -0.135816D+01
                16            17            18            19            20 
      1  -0.506717D+01 -0.106786D+01  0.134899D+01 -0.110410D-02 -0.587004D+00
      2  -0.106786D+01  0.294968D+01 -0.980393D+00 -0.587004D+00  0.161918D-03
      3   0.134899D+01 -0.980393D+00  0.286270D-01 -0.552115D-04 -0.240295D+00
                21            22            23            24            25 
      1  -0.552115D-04  0.176440D+01 -0.174849D-02  0.339881D+01  0.690171D-03
      2  -0.240295D+00 -0.174849D-02  0.768236D+00  0.222031D-04  0.490403D+01
      3   0.243764D-04  0.339881D+01  0.222031D-04 -0.219901D+01  0.201813D-02
                26            27            28            29            30 
      1   0.490403D+01  0.201813D-02  0.197759D+00 -0.347892D+01  0.293547D+01
      2   0.293766D-03 -0.891992D+00 -0.347892D+01 -0.396938D+00 -0.469726D+00
      3  -0.891992D+00 -0.119513D-02  0.293547D+01 -0.469726D+00  0.195292D+01
                31            32            33            34            35 
      1  -0.577850D+01  0.228857D+01 -0.208697D+00  0.424151D+01  0.134103D+01
      2   0.228857D+01  0.222422D+01  0.310781D+01  0.134103D+01  0.187555D+01
      3  -0.208697D+00  0.310781D+01  0.247812D+01  0.628198D+00  0.152361D+01
                36            37            38            39            40 
      1   0.628198D+00  0.119037D+01 -0.278117D+01  0.724967D+00 -0.202740D+01
      2   0.152361D+01 -0.278117D+01  0.292521D+01 -0.336546D+01  0.248529D+01
      3  -0.334516D+01  0.724967D+00 -0.336546D+01 -0.349472D+01 -0.104208D+01
                41            42            43            44            45 
      1   0.248529D+01 -0.104208D+01  0.240109D+01 -0.412158D+01 -0.276635D+01
      2  -0.164403D+01 -0.211891D+01 -0.412158D+01 -0.222172D+01  0.451563D-01
      3  -0.211891D+01 -0.363707D+00 -0.276635D+01  0.451563D-01  0.654790D+00
                46            47            48            49            50 
      1  -0.333923D+01  0.306959D+01  0.525368D+01 -0.111704D+01  0.329231D+01
      2   0.306959D+01  0.434122D+01  0.973428D+00  0.329231D+01 -0.269408D+01
      3   0.525368D+01  0.973428D+00 -0.275538D+01  0.192342D+01  0.115241D+01
                51            52            53            54            55 
      1   0.192342D+01  0.186784D+01 -0.112939D+01 -0.182203D+01 -0.140281D+00
      2   0.115241D+01 -0.112939D+01  0.245877D+01  0.210155D+01  0.679400D+00
      3   0.311353D+01 -0.182203D+01  0.210155D+01 -0.294093D+01  0.130710D+01
                56            57            58            59            60 
      1   0.679400D+00  0.130710D+01  0.227568D+01  0.876916D+00 -0.290630D+01
      2  -0.187104D+00  0.766539D+00  0.876916D+00  0.106510D+01 -0.110652D+01
      3   0.766539D+00  0.132469D+00 -0.290630D+01 -0.110652D+01 -0.135798D+01
                61            62            63            64            65 
      1   0.506793D+01 -0.106769D+01 -0.135100D+01 -0.119211D+01 -0.278471D+01
      2  -0.106769D+01 -0.294840D+01 -0.981972D+00 -0.278471D+01 -0.292151D+01
      3  -0.135100D+01 -0.981972D+00 -0.297449D-01 -0.724113D+00 -0.336703D+01
                66            67            68            69            70 
      1  -0.724113D+00 -0.202901D+01 -0.248224D+01 -0.104349D+01 -0.240022D+01
      2  -0.336703D+01 -0.248224D+01 -0.164604D+01  0.211983D+01 -0.412231D+01
      3   0.349174D+01 -0.104349D+01  0.211983D+01 -0.360932D+00  0.276436D+01
                71            72            73            74            75 
      1  -0.412231D+01  0.276436D+01 -0.204263D+00 -0.347795D+01 -0.293776D+01
      2   0.222290D+01  0.495091D-01 -0.347795D+01  0.397795D+00 -0.467429D+00
      3   0.495091D-01 -0.658554D+00 -0.293776D+01 -0.467429D+00 -0.194984D+01
                76            77            78            79            80 
      1  -0.577691D+01 -0.228922D+01 -0.207127D+00 -0.424411D+01  0.134270D+01
      2  -0.228922D+01  0.222705D+01 -0.310787D+01  0.134270D+01 -0.187601D+01
      3  -0.207127D+00 -0.310787D+01  0.247471D+01 -0.623818D+00  0.152085D+01
                81            82            83            84            85 
      1  -0.623818D+00  0.168793D+01  0.149450D+01 -0.190971D+00  0.307787D+01
      2   0.152085D+01  0.149450D+01  0.330147D+01 -0.849224D+00  0.296237D+01
      3   0.334913D+01 -0.190971D+00 -0.849224D+00  0.418006D+00 -0.963107D+00
                86            87            88            89            90 
      1   0.296237D+01 -0.963107D+00  0.100401D+01 -0.113775D-01  0.207154D+00
      2   0.955481D+01 -0.211725D+01 -0.113775D-01  0.472317D+00  0.112464D+01
      3  -0.211725D+01  0.188199D+01  0.207154D+00  0.112464D+01 -0.122869D+01
                91            92            93            94            95 
      1  -0.950698D+00 -0.678077D-01 -0.265040D+00 -0.998169D+00  0.562818D+00
      2  -0.678077D-01  0.181154D+00  0.426058D-01  0.562818D+00  0.458866D+00
      3  -0.265040D+00  0.426058D-01 -0.171447D+01 -0.279340D+00 -0.108731D+01
                96            97            98            99           100 
      1  -0.279340D+00 -0.185290D+01  0.755479D-01 -0.207383D+00  0.876060D+00
      2  -0.108731D+01  0.755479D-01 -0.167533D+01  0.111323D+01  0.618640D+00
      3  -0.186043D+01 -0.207383D+00  0.111323D+01 -0.101335D+02  0.715799D+00
               101           102           103           104           105 
      1   0.618640D+00  0.715799D+00  0.587076D+00  0.297469D+00  0.164899D+00
      2  -0.244049D+00  0.272608D+00  0.297469D+00 -0.590983D+00  0.537543D+00
      3   0.272608D+00 -0.458675D+00  0.164899D+00  0.537543D+00 -0.102859D+01
               106           107           108           109           110 
      1   0.267466D+01 -0.345220D+00  0.268593D+01  0.105369D+02  0.274267D+01
      2  -0.345220D+00  0.129809D+01 -0.695660D+00  0.274267D+01  0.192789D+01
      3   0.268593D+01 -0.695660D+00  0.927860D+01  0.541526D+00  0.195367D+00
               111           112           113           114           115 
      1   0.541526D+00  0.516048D+01  0.185300D+01  0.259788D+00 -0.208855D+01
      2   0.195367D+00  0.185300D+01  0.137756D+01 -0.171427D+00 -0.373604D+00
      3   0.121367D+01  0.259788D+00 -0.171427D+00  0.645704D+00  0.136012D+01
               116           117           118           119           120 
      1  -0.373604D+00  0.136012D+01 -0.108580D+01 -0.486881D+00  0.398890D-01
      2  -0.916345D+00  0.220011D+00 -0.486881D+00 -0.286889D+01  0.947061D+00
      3   0.220011D+00  0.476617D+00  0.398890D-01  0.947061D+00 -0.329380D+00
               121           122           123           124           125 
      1  -0.143754D+01 -0.343526D+00  0.390007D+00  0.827456D+00  0.735466D+00
      2  -0.343526D+00 -0.763051D+01  0.100489D+01  0.735466D+00  0.235460D+01
      3   0.390007D+00  0.100489D+01 -0.134641D+01  0.344378D+00 -0.144597D+01
               126           127           128           129           130 
      1   0.344378D+00  0.336660D+01 -0.149784D+01 -0.209572D+01 -0.625861D+00
      2  -0.144597D+01 -0.149784D+01  0.139296D+01  0.160777D+01  0.114922D+01
      3   0.881362D+00 -0.209572D+01  0.160777D+01  0.280169D+01  0.963945D+00
               131           132           133           134           135 
      1   0.114922D+01  0.963945D+00 -0.414091D+01  0.244547D+01  0.333787D+01
      2  -0.250318D+01 -0.134259D+01  0.244547D+01 -0.273580D+01 -0.255884D+01
      3  -0.134259D+01 -0.106273D+01  0.333787D+01 -0.255884D+01 -0.517276D+01
               136           137           138           139           140 
      1   0.951969D+00 -0.677918D-01  0.265136D+00 -0.998658D+00 -0.562568D+00
      2  -0.677918D-01 -0.180676D+00  0.425227D-01 -0.562568D+00  0.458129D+00
      3   0.265136D+00  0.425227D-01  0.171659D+01 -0.279801D+00  0.108766D+01
               141           142           143           144           145 
      1  -0.279801D+00  0.185276D+01  0.756023D-01  0.209413D+00 -0.168849D+01
      2   0.108766D+01  0.756023D-01  0.167489D+01  0.111152D+01  0.149450D+01
      3  -0.186138D+01  0.209413D+00  0.111152D+01  0.101321D+02  0.191536D+00
               146           147           148           149           150 
      1   0.149450D+01  0.191536D+00  0.307815D+01 -0.296198D+01 -0.963726D+00
      2  -0.330137D+01 -0.849945D+00 -0.296198D+01  0.955264D+01  0.211871D+01
      3  -0.849945D+00 -0.418408D+00 -0.963726D+00  0.211871D+01  0.188264D+01
               151           152           153           154           155 
      1  -0.100284D+01 -0.119104D-01 -0.207097D+00  0.108443D+01 -0.485837D+00
      2  -0.119104D-01 -0.470052D+00  0.112472D+01 -0.485837D+00  0.286598D+01
      3  -0.207097D+00  0.112472D+01  0.122956D+01 -0.403056D-01  0.947886D+00
               156           157           158           159           160 
      1  -0.403056D-01 -0.143688D+01  0.341643D+00  0.390119D+00 -0.828644D+00
      2   0.947886D+00  0.341643D+00 -0.762981D+01 -0.100794D+01  0.735045D+00
      3   0.329728D+00  0.390119D+00 -0.100794D+01 -0.134733D+01 -0.344186D+00
               161           162           163           164           165 
      1   0.735045D+00 -0.344186D+00 -0.336316D+01 -0.149686D+01  0.209398D+01
      2  -0.235859D+01 -0.144794D+01 -0.149686D+01 -0.139305D+01  0.160780D+01
      3  -0.144794D+01 -0.883468D+00  0.209398D+01  0.160780D+01 -0.279971D+01
               166           167           168           169           170 
      1  -0.626370D+00 -0.114993D+01  0.964420D+00  0.413979D+01  0.244588D+01
      2  -0.114993D+01 -0.250494D+01  0.134302D+01  0.244588D+01  0.273713D+01
      3   0.964420D+00  0.134302D+01 -0.106384D+01 -0.333657D+01 -0.256024D+01
               171           172           173           174           175 
      1  -0.333657D+01 -0.877572D+00  0.618908D+00 -0.716173D+00  0.588023D+00
      2  -0.256024D+01  0.618908D+00  0.243285D+00  0.272149D+00 -0.297787D+00
      3   0.517340D+01 -0.716173D+00  0.272149D+00  0.455918D+00  0.165118D+00
               176           177           178           179           180 
      1  -0.297787D+00  0.165118D+00 -0.267600D+01 -0.344772D+00 -0.268888D+01
      2  -0.590157D+00 -0.537270D+00 -0.344772D+00 -0.129792D+01 -0.693055D+00
      3  -0.537270D+00 -0.102584D+01 -0.268888D+01 -0.693055D+00 -0.927938D+01
               181           182           183           184           185 
      1  -0.105349D+02  0.274322D+01 -0.538239D+00  0.516009D+01 -0.185329D+01
      2   0.274322D+01 -0.192802D+01  0.194320D+00 -0.185329D+01  0.137760D+01
      3  -0.538239D+00  0.194320D+00 -0.121336D+01  0.258460D+00  0.172175D+00
               186           187           188           189 
      1   0.258460D+00  0.209311D+01 -0.374865D+00 -0.136069D+01
      2   0.172175D+00 -0.374865D+00  0.917486D+00  0.220705D+00
      3   0.646004D+00 -0.136069D+01  0.220705D+00 -0.475069D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.391896D+01  0.488630D+01 -0.621827D+01  0.515286D+01  0.846072D+01
      2  -0.203180D+01  0.207710D+01  0.228064D+01  0.412816D+01 -0.718392D+01
      3  -0.453862D-01  0.369175D+01 -0.632004D+01  0.585465D+01 -0.237903D+01
                 6             7             8             9            10 
      1  -0.772196D+01 -0.329863D+01  0.393569D+01 -0.970440D+01 -0.219237D+00
      2   0.535003D+01 -0.478118D+01  0.193901D+01  0.628578D+01 -0.702286D+00
      3   0.315947D+01 -0.557194D+01  0.225305D+01  0.108712D+01  0.485355D+01
                11            12            13            14            15 
      1   0.816271D+00  0.225796D+01 -0.236787D+01  0.899626D+00 -0.386079D+01
      2  -0.267426D+00  0.376559D+01 -0.221191D+01  0.205967D+01 -0.495378D+01
      3  -0.786521D+01  0.140261D+00  0.124885D+02 -0.360910D+01 -0.153347D+01
                16            17            18            19            20 
      1  -0.717182D+01  0.434760D+01 -0.844460D-01  0.138986D-02 -0.192451D+01
      2  -0.923714D+01  0.237265D+01 -0.259897D+00 -0.392278D+01 -0.868610D-03
      3  -0.316647D+00 -0.595871D+01  0.282194D+01 -0.574784D-03 -0.503929D+01
                21            22            23            24            25 
      1  -0.451259D-04  0.356333D+01 -0.326267D-03 -0.105660D+01 -0.976556D-03
      2   0.617104D+01 -0.260177D-03 -0.498342D+00  0.279651D-03 -0.136307D+02
      3   0.241552D-03  0.140765D+02 -0.266468D-02 -0.783639D+00  0.502219D-03
                26            27            28            29            30 
      1   0.323793D+01  0.168234D-02 -0.363173D+01  0.113581D+01  0.275187D+00
      2  -0.521118D-03  0.158365D+01  0.128098D+02  0.242148D+01  0.836072D+01
      3   0.515149D+01  0.204463D-02  0.926181D+01 -0.244994D+01  0.650469D+00
                31            32            33            34            35 
      1  -0.151843D+01  0.382232D+01  0.459072D+00  0.250623D+01  0.489673D+01
      2   0.435817D+01  0.930101D+01  0.785570D+01 -0.549564D+01  0.372862D+01
      3  -0.250588D+01 -0.838972D+01 -0.901589D+01 -0.310965D+01 -0.831525D+01
                36            37            38            39            40 
      1   0.285825D+01  0.170810D+01 -0.807055D+01 -0.404860D+01 -0.474905D+01
      2  -0.127914D+02 -0.601750D+00 -0.727345D+01 -0.565496D+01 -0.439471D+01
      3  -0.627371D+01  0.748727D+01 -0.846422D+01  0.710647D+01  0.758605D+00
                41            42            43            44            45 
      1  -0.493171D+01 -0.295400D+01 -0.585151D+01  0.617105D+01  0.146529D+01
      2  -0.352097D+01 -0.245161D+01 -0.718071D+01 -0.171138D+01 -0.375276D+00
      3  -0.790093D+00  0.937936D+01  0.842067D+01  0.129911D+02  0.644564D+01
                46            47            48            49            50 
      1  -0.392050D+01  0.488522D+01  0.622318D+01  0.515202D+01 -0.845888D+01
      2  -0.203169D+01 -0.207617D+01  0.228227D+01 -0.412772D+01 -0.718188D+01
      3   0.447691D-01  0.368740D+01  0.632005D+01  0.585099D+01  0.237729D+01
                51            52            53            54            55 
      1  -0.772507D+01  0.330595D+01  0.393026D+01  0.969892D+01  0.219293D+00
      2  -0.535188D+01 -0.477804D+01 -0.194218D+01  0.628444D+01 -0.702978D+00
      3   0.315869D+01  0.557053D+01  0.225226D+01 -0.108943D+01 -0.485248D+01
                56            57            58            59            60 
      1   0.815605D+00 -0.225823D+01 -0.236952D+01 -0.899958D+00 -0.386025D+01
      2   0.267899D+00  0.376571D+01  0.221159D+01  0.205730D+01  0.495326D+01
      3  -0.786566D+01 -0.140432D+00  0.124895D+02  0.361383D+01 -0.152968D+01
                61            62            63            64            65 
      1   0.717150D+01  0.434672D+01  0.857560D-01 -0.170514D+01 -0.806931D+01
      2  -0.923579D+01 -0.236977D+01 -0.258397D+00 -0.602256D+00  0.727883D+01
      3   0.317841D+00 -0.595678D+01 -0.282515D+01 -0.749458D+01 -0.844853D+01
                66            67            68            69            70 
      1   0.404518D+01 -0.474823D+01  0.493315D+01 -0.294760D+01  0.584977D+01
      2  -0.564898D+01  0.439770D+01 -0.352621D+01  0.244488D+01 -0.717642D+01
      3  -0.711393D+01  0.772878D+00  0.778274D+00  0.938609D+01 -0.842445D+01
                71            72            73            74            75 
      1   0.617963D+01 -0.146916D+01  0.362993D+01  0.113517D+01 -0.276244D+00
      2   0.169954D+01 -0.363900D+00  0.128121D+02 -0.242766D+01  0.834889D+01
      3   0.129978D+02 -0.643128D+01 -0.925921D+01 -0.245107D+01 -0.643532D+00
                76            77            78            79            80 
      1  -0.151764D+01 -0.382241D+01  0.456809D+00 -0.250851D+01  0.489416D+01
      2  -0.436151D+01  0.930153D+01 -0.784405D+01 -0.551194D+01 -0.371700D+01
      3  -0.250983D+01  0.840096D+01 -0.901808D+01  0.311291D+01 -0.831694D+01
                81            82            83            84            85 
      1  -0.285541D+01 -0.246463D+01 -0.367765D+01 -0.356431D+00 -0.247604D+01
      2  -0.128012D+02  0.193258D+01  0.935420D+00  0.111620D+01  0.284251D+01
      3   0.626397D+01  0.131531D+01 -0.330705D+01  0.867262D+00  0.466298D+01
                86            87            88            89            90 
      1  -0.109028D+02 -0.243664D+01 -0.318062D+00 -0.125074D+01  0.401638D+00
      2   0.168521D+01  0.158988D+01 -0.250777D+00  0.120764D+01 -0.944939D+00
      3  -0.464919D+01  0.541529D+00  0.132459D+01 -0.145723D+00 -0.700049D+00
                91            92            93            94            95 
      1   0.152389D+01  0.169447D-01  0.306631D+01 -0.364507D+00  0.135653D+01
      2  -0.286602D+01 -0.388624D+00 -0.914293D+00 -0.195308D+01 -0.615885D+00
      3  -0.826640D+00 -0.467253D+00 -0.377057D+00 -0.393977D+00  0.688663D-01
                96            97            98            99           100 
      1   0.311010D+01  0.352477D+00  0.376596D+01  0.135425D+02  0.105877D+01
      2  -0.273232D+01 -0.620884D+01  0.112414D+01 -0.108079D+02  0.244007D+01
      3   0.402887D+00 -0.259713D+01  0.123378D+01 -0.146215D+01 -0.140924D+01
               101           102           103           104           105 
      1  -0.685574D-01  0.315414D+00  0.911422D-01 -0.780911D+00 -0.790045D+00
      2   0.228987D+00 -0.137902D+01 -0.422489D+00  0.156605D+01 -0.330440D+01
      3  -0.156543D+00 -0.107614D+01 -0.242257D+00  0.153356D+01 -0.124719D+01
               106           107           108           109           110 
      1   0.284128D-01  0.424444D+01  0.127051D+01  0.331532D+01  0.184375D+01
      2   0.223603D+01 -0.177279D+01  0.262538D+02 -0.671084D+01 -0.143539D+01
      3   0.759688D+00 -0.407581D+01  0.185215D+01 -0.807193D+01 -0.888943D+01
               111           112           113           114           115 
      1  -0.660835D+00  0.214874D+01  0.126149D+01 -0.110513D+01 -0.459960D+00
      2   0.596203D+01 -0.282596D+01 -0.207820D+01  0.266203D+01  0.440704D+01
      3  -0.757006D+00 -0.314097D+01 -0.443180D+01  0.568463D+00  0.887117D+00
               116           117           118           119           120 
      1   0.351776D+00  0.683860D+00  0.914171D+00  0.271552D+01 -0.178477D+01
      2   0.116182D+01  0.379056D+00  0.567883D+00  0.132435D+01 -0.159014D+00
      3   0.273850D+01 -0.620622D+00  0.524458D+01  0.783891D+01 -0.297725D+01
               121           122           123           124           125 
      1   0.623211D+00  0.439537D+01 -0.521172D+01  0.411737D+00 -0.234518D+01
      2   0.569153D+00  0.170992D+01 -0.212517D+01 -0.226460D+00 -0.281789D+01
      3   0.627236D+01  0.201627D+02 -0.333839D+01 -0.390946D+01 -0.748126D+01
               126           127           128           129           130 
      1   0.254335D+01 -0.330466D+01  0.136428D+01  0.458549D+01  0.128492D+01
      2   0.139317D+01 -0.248133D+01  0.339296D+01  0.716189D+01  0.156239D+01
      3   0.349943D+01 -0.158892D+01 -0.237029D+01 -0.110386D+01 -0.107639D+00
               131           132           133           134           135 
      1  -0.717432D+00 -0.258570D+01  0.421374D+01 -0.775692D+00 -0.792362D+01
      2  -0.267310D+01 -0.258402D+01  0.286821D+01 -0.433047D+01 -0.103177D+02
      3   0.506190D+01  0.186737D+01  0.463005D+00  0.418392D+01  0.140011D+01
               136           137           138           139           140 
      1  -0.152481D+01  0.188386D-01 -0.306903D+01 -0.363528D+00 -0.135790D+01
      2  -0.286952D+01  0.388686D+00 -0.916405D+00  0.195518D+01 -0.616480D+00
      3   0.827660D+00 -0.466719D+00  0.377387D+00 -0.393778D+00 -0.692076D-01
               141           142           143           144           145 
      1   0.311142D+01 -0.355465D+00  0.376862D+01 -0.135381D+02  0.246461D+01
      2   0.273370D+01 -0.621190D+01 -0.112210D+01 -0.108069D+02  0.193327D+01
      3   0.402363D+00  0.259565D+01  0.123219D+01  0.146238D+01 -0.131575D+01
               146           147           148           149           150 
      1  -0.367816D+01  0.355657D+00 -0.247551D+01  0.109014D+02 -0.243385D+01
      2  -0.935103D+00  0.111593D+01 -0.284351D+01  0.168518D+01 -0.158925D+01
      3  -0.330666D+01 -0.867578D+00  0.466271D+01  0.464633D+01  0.541538D+00
               151           152           153           154           155 
      1   0.316817D+00 -0.124721D+01 -0.402468D+00 -0.914031D+00  0.271384D+01
      2  -0.252039D+00 -0.120692D+01 -0.945780D+00  0.570467D+00 -0.132698D+01
      3  -0.132329D+01 -0.144284D+00  0.700237D+00 -0.523767D+01  0.782938D+01
               156           157           158           159           160 
      1   0.178444D+01  0.622627D+00 -0.439531D+01 -0.521393D+01 -0.411820D+00
      2  -0.160333D+00 -0.571574D+00  0.171774D+01  0.212822D+01 -0.227828D+00
      3   0.298011D+01  0.626593D+01 -0.201579D+02 -0.334670D+01  0.391135D+01
               161           162           163           164           165 
      1  -0.234854D+01 -0.254813D+01  0.330292D+01  0.136573D+01 -0.458340D+01
      2   0.282288D+01  0.139742D+01 -0.248068D+01 -0.339418D+01  0.715815D+01
      3  -0.749105D+01 -0.350533D+01  0.158696D+01 -0.237122D+01  0.110657D+01
               166           167           168           169           170 
      1   0.128590D+01  0.718340D+00 -0.258839D+01 -0.421335D+01 -0.778762D+00
      2  -0.156273D+01 -0.267380D+01  0.258639D+01  0.286695D+01  0.433399D+01
      3  -0.108173D+00 -0.506501D+01  0.186743D+01 -0.461475D+00  0.418540D+01
               171           172           173           174           175 
      1   0.792649D+01 -0.105844D+01 -0.667744D-01 -0.315757D+00  0.912704D-01
      2  -0.103206D+02  0.243864D+01 -0.227695D+00 -0.137031D+01  0.423047D+00
      3  -0.140454D+01  0.141070D+01 -0.158996D+00  0.107468D+01 -0.243103D+00
               176           177           178           179           180 
      1   0.779561D+00 -0.789195D+00 -0.285937D-01  0.424452D+01 -0.126801D+01
      2   0.156485D+01  0.329638D+01  0.224561D+01  0.176572D+01  0.262566D+02
      3  -0.153152D+01 -0.124623D+01 -0.760265D+00 -0.407654D+01 -0.184499D+01
               181           182           183           184           185 
      1  -0.331420D+01  0.184224D+01  0.662805D+00  0.214839D+01 -0.126092D+01
      2  -0.671499D+01  0.143790D+01  0.596384D+01  0.282754D+01 -0.207968D+01
      3   0.806996D+01 -0.888939D+01  0.753270D+00 -0.314018D+01  0.443135D+01
               186           187           188           189 
      1  -0.110611D+01  0.461862D+00  0.351065D+00 -0.684494D+00
      2  -0.266426D+01  0.441173D+01 -0.116478D+01  0.373457D+00
      3   0.570563D+00 -0.889538D+00  0.274287D+01  0.622220D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.745051D+01  0.150220D+02 -0.504766D+01  0.652333D+01 -0.219077D+01
      2  -0.200328D+01 -0.183423D+02  0.123787D+02 -0.106104D+02 -0.152191D+02
      3   0.945380D+01  0.332039D+01 -0.733104D+01  0.408710D+01  0.174099D+02
      4   0.663386D+01 -0.456388D+01 -0.394119D+01 -0.824835D+01 -0.172061D+02
      5  -0.140888D+02 -0.246120D+01  0.134039D+02  0.128717D+01  0.329822D+01
      6  -0.153086D+02  0.805442D+01  0.216491D+01  0.939173D+01  0.336378D+00
                 6             7             8             9            10 
      1   0.904819D+01  0.810798D+00  0.561134D+01  0.105274D+02  0.177997D+01
      2   0.118930D+01  0.424794D+01 -0.301832D+01  0.123331D+02 -0.275856D+01
      3  -0.102375D+02 -0.505874D+01 -0.259302D+01 -0.228604D+02  0.978584D+00
      4   0.146237D+01 -0.684690D+01 -0.344910D+01  0.725744D+01  0.380896D+01
      5   0.298386D+01  0.998717D+01  0.513600D+01 -0.287351D+01 -0.119858D+02
      6   0.709656D+01  0.482884D+01  0.745726D+01 -0.400057D+01  0.209599D+01
                11            12            13            14            15 
      1   0.204156D+00 -0.534691D+01 -0.110700D+01 -0.152543D+01 -0.534938D+01
      2   0.257776D+01  0.179902D+01  0.424434D+01 -0.203361D+00  0.199574D+01
      3  -0.278191D+01  0.354789D+01 -0.313734D+01  0.172879D+01  0.335364D+01
      4  -0.117361D+01  0.469047D+01 -0.609034D+01  0.823128D+01  0.205791D+01
      5   0.620303D+01 -0.997388D+00 -0.193533D+01  0.448182D+00 -0.261650D+01
      6  -0.208814D+01  0.155185D+01 -0.414166D+01  0.173908D+01 -0.107695D-01
                16            17            18            19            20 
      1  -0.106931D+02 -0.309506D+01 -0.575664D+00 -0.442613D+01 -0.203786D-02
      2   0.546290D+01  0.213236D+01 -0.263657D+01  0.694926D+01 -0.147678D-03
      3   0.523019D+01  0.962699D+00  0.321223D+01 -0.252312D+01  0.218553D-02
      4   0.160634D+01  0.607314D+01 -0.202652D+01 -0.359901D-02 -0.213998D+00
      5  -0.530528D+00 -0.137248D+01  0.140297D+00  0.136277D+02  0.955242D-03
      6   0.481852D+01 -0.748339D+00  0.137479D+01  0.288567D-02  0.231963D+01
                21            22            23            24            25 
      1   0.215682D+01 -0.139703D-02 -0.128588D+01  0.232706D-02 -0.380723D+01
      2  -0.365202D+01 -0.162843D-02  0.380540D+01 -0.141278D-02  0.155976D-01
      3   0.149520D+01  0.302546D-02 -0.251952D+01 -0.914287D-03  0.379164D+01
      4   0.172256D-02 -0.277017D+01  0.200300D-02  0.198143D+00  0.471621D-02
      5  -0.873911D+01  0.562356D-02  0.167344D+00  0.517315D-03 -0.149767D+02
      6   0.518494D-04  0.704512D+01  0.197721D-03 -0.229017D+01  0.100152D-02
                26            27            28            29            30 
      1  -0.324662D-03 -0.384352D+01 -0.109306D+02 -0.191588D+02  0.154926D+02
      2   0.102009D-02  0.167576D+01  0.111427D+01  0.877981D+01 -0.876357D+01
      3  -0.695424D-03  0.216776D+01  0.981632D+01  0.103790D+02 -0.672907D+01
      4   0.719642D+00 -0.484051D-03 -0.251572D+02 -0.194405D+01 -0.431515D+01
      5  -0.775230D-03  0.470186D+01  0.211105D+02 -0.482082D+01  0.133040D+02
      6  -0.137093D+01 -0.155702D-02 -0.570792D+01  0.635222D+00 -0.323413D+01
                31            32            33            34            35 
      1  -0.295521D+02  0.546176D+01 -0.107878D+01  0.271072D+02  0.265888D+01
      2   0.136816D+02 -0.595378D+01 -0.270177D+01 -0.117935D+02 -0.468675D+01
      3   0.158705D+02  0.492014D+00  0.378055D+01 -0.153137D+02  0.202787D+01
      4   0.720647D+01  0.124304D+02  0.150485D+02  0.258358D+01  0.107513D+02
      5  -0.528056D+01  0.168926D+02  0.104060D+02  0.865693D+01  0.665210D+01
      6  -0.812765D-01  0.289645D+01  0.205807D+01 -0.204938D+01  0.179214D+01
                36            37            38            39            40 
      1   0.170850D+02 -0.240823D+00 -0.523590D+01 -0.618893D+01 -0.368756D+01
      2   0.250289D+01  0.744198D+01 -0.825701D+01  0.450626D+01 -0.757742D+01
      3  -0.195879D+02 -0.720116D+01  0.134929D+02  0.168267D+01  0.112650D+02
      4   0.550144D+01 -0.100422D+02  0.131146D+02 -0.126673D+02  0.157457D+02
      5  -0.138621D+02  0.637381D+01 -0.147363D+02 -0.161590D+02 -0.664928D+01
      6   0.370515D+01 -0.162793D+00  0.867614D+01  0.925779D+01  0.535916D+01
                41            42            43            44            45 
      1   0.114736D+02 -0.101992D+02  0.202342D+00 -0.199461D+02 -0.121916D+02
      2  -0.427568D+01  0.117053D+02  0.164621D+01  0.167362D+02  0.865532D+01
      3  -0.719792D+01 -0.150619D+01 -0.184855D+01  0.320985D+01  0.353630D+01
      4  -0.185670D+02 -0.302058D+01 -0.174628D+02 -0.170689D+01  0.584651D+01
      5  -0.635737D+01  0.617647D+00 -0.145999D+02  0.310287D+01  0.757375D+01
      6   0.576308D+01 -0.158015D+01  0.114364D+02 -0.400789D+01 -0.315385D+01
                46            47            48            49            50 
      1  -0.745153D+01 -0.150173D+02 -0.504214D+01 -0.652574D+01 -0.218582D+01
      2  -0.201031D+01  0.183357D+02  0.123865D+02  0.106055D+02 -0.152171D+02
      3   0.946184D+01 -0.331840D+01 -0.734432D+01 -0.407974D+01  0.174029D+02
      4  -0.662166D+01 -0.456603D+01  0.393543D+01 -0.825041D+01  0.172050D+02
      5  -0.140862D+02  0.245504D+01  0.134055D+02 -0.129638D+01  0.330649D+01
      6   0.153012D+02  0.805825D+01 -0.216229D+01  0.939760D+01 -0.350060D+00
                51            52            53            54            55 
      1  -0.904814D+01  0.818858D+00 -0.561052D+01  0.105253D+02  0.176417D+01
      2  -0.119656D+01  0.425539D+01  0.300634D+01  0.123252D+02 -0.275077D+01
      3   0.102447D+02 -0.507425D+01  0.260417D+01 -0.228505D+02  0.986601D+00
      4   0.147128D+01  0.684120D+01 -0.344025D+01 -0.725875D+01 -0.381282D+01
      5  -0.297826D+01  0.999004D+01 -0.513497D+01 -0.288769D+01 -0.119894D+02
      6   0.708975D+01 -0.482923D+01  0.745208D+01  0.401295D+01 -0.209596D+01
                56            57            58            59            60 
      1  -0.205998D+00 -0.534671D+01  0.110926D+01 -0.152967D+01  0.534753D+01
      2  -0.257553D+01  0.180078D+01 -0.424387D+01 -0.201138D+00 -0.199528D+01
      3   0.278153D+01  0.354594D+01  0.313462D+01  0.173081D+01 -0.335225D+01
      4  -0.117062D+01 -0.469005D+01 -0.609292D+01 -0.823724D+01  0.205412D+01
      5  -0.620112D+01 -0.999352D+00  0.193803D+01  0.446066D+00  0.261604D+01
      6  -0.208858D+01 -0.155217D+01 -0.413941D+01 -0.173591D+01 -0.939165D-02
                61            62            63            64            65 
      1  -0.106973D+02  0.309641D+01 -0.568755D+00 -0.235147D+00  0.525905D+01
      2   0.546533D+01 -0.213410D+01 -0.263982D+01  0.744401D+01  0.823274D+01
      3   0.523196D+01 -0.962307D+00  0.320857D+01 -0.720886D+01 -0.134918D+02
      4  -0.160643D+01  0.606972D+01  0.203278D+01  0.100567D+02  0.131099D+02
      5  -0.522198D+00  0.137849D+01  0.145053D+00  0.636424D+01  0.147416D+02
      6  -0.481687D+01 -0.746620D+00 -0.137607D+01  0.160583D+00  0.868392D+01
                66            67            68            69            70 
      1  -0.619548D+01  0.370266D+01  0.114626D+02  0.102080D+02  0.194954D+00
      2   0.451920D+01  0.756055D+01 -0.426381D+01 -0.117141D+02  0.165681D+01
      3   0.167628D+01 -0.112632D+02 -0.719877D+01  0.150612D+01 -0.185176D+01
      4   0.126723D+02  0.157393D+02  0.185635D+02 -0.301888D+01  0.174642D+02
      5  -0.161450D+02  0.665400D+01 -0.635689D+01 -0.627593D+00 -0.145889D+02
      6  -0.925160D+01  0.536590D+01 -0.576929D+01 -0.159261D+01 -0.114329D+02
                71            72            73            74            75 
      1   0.199518D+02 -0.121684D+02 -0.108949D+02  0.191580D+02  0.155166D+02
      2  -0.167446D+02  0.863741D+01  0.109483D+01 -0.877773D+01 -0.877022D+01
      3  -0.320719D+01  0.353097D+01  0.980002D+01 -0.103803D+02 -0.674637D+01
      4  -0.170714D+01 -0.585945D+01  0.251539D+02 -0.194948D+01  0.430136D+01
      5  -0.311860D+01  0.758598D+01  0.211370D+02  0.480594D+01  0.132903D+02
      6  -0.402370D+01  0.316258D+01  0.570100D+01  0.634054D+00  0.322867D+01
                76            77            78            79            80 
      1   0.295467D+02  0.546322D+01  0.106353D+01  0.271339D+02 -0.267478D+01
      2  -0.136764D+02 -0.595279D+01  0.270344D+01 -0.117993D+02  0.468788D+01
      3  -0.158703D+02  0.489571D+00 -0.376697D+01 -0.153346D+02 -0.201310D+01
      4   0.720531D+01 -0.124460D+02  0.150489D+02 -0.259698D+01  0.107524D+02
      5   0.526277D+01  0.168930D+02 -0.103942D+02  0.863053D+01 -0.664180D+01
      6  -0.814323D-01 -0.290018D+01  0.206002D+01  0.204562D+01  0.179343D+01
                81            82            83            84            85 
      1   0.170606D+02  0.362202D+01 -0.367630D+01  0.175116D+01 -0.196648D+01
      2   0.252111D+01  0.413850D+01  0.109272D+02 -0.278606D+01  0.101302D+02
      3  -0.195817D+02 -0.776053D+01 -0.725088D+01  0.103490D+01 -0.816375D+01
      4  -0.549109D+01  0.102495D+02  0.175878D+02 -0.341369D+01  0.165454D+02
      5  -0.138929D+02 -0.250523D+01 -0.482101D+01  0.379027D+01 -0.567060D+01
      6  -0.369747D+01 -0.249904D+01 -0.727307D+01  0.368837D+01 -0.791185D+01
                86            87            88            89            90 
      1  -0.233731D+02  0.690725D+01  0.254781D+01  0.695314D+00 -0.572991D+01
      2   0.448504D+02 -0.674962D+01 -0.760028D+00  0.379555D+01  0.177495D+01
      3  -0.214774D+02 -0.157625D+00 -0.178778D+01 -0.449086D+01  0.395496D+01
      4   0.307238D+02 -0.746091D+01  0.174741D+01  0.111802D+01  0.337030D+01
      5  -0.840731D+01  0.530121D+01  0.155524D+01  0.303924D+01 -0.204282D+01
      6  -0.212783D+02  0.118514D+02  0.170206D+01  0.667435D+01 -0.369829D+01
                91            92            93            94            95 
      1  -0.347021D+00 -0.659040D-01 -0.510704D+01 -0.278484D+01 -0.390226D+01
      2  -0.233895D+01  0.105605D+01 -0.334743D+01  0.226379D+01  0.196771D+01
      3   0.268597D+01 -0.990148D+00  0.845446D+01  0.521057D+00  0.193456D+01
      4  -0.991555D+00  0.208298D+01 -0.142409D+01  0.263724D+01  0.201689D+01
      5   0.200154D+01 -0.349161D+00  0.469394D+01  0.177651D+01 -0.186771D+01
      6   0.421203D+00  0.348773D+00 -0.342109D+01 -0.141798D+01 -0.777792D+00
                96            97            98            99           100 
      1  -0.420572D+01 -0.269286D+01  0.575954D+01 -0.318606D+02  0.670158D+01
      2  -0.644347D+01  0.105314D+00 -0.237481D+01 -0.214168D+02 -0.561263D+01
      3   0.106492D+02  0.258755D+01 -0.338472D+01  0.532774D+02 -0.108894D+01
      4  -0.184183D+01 -0.173232D+01 -0.303906D+01  0.856345D+00  0.289794D+01
      5  -0.230183D+01  0.609278D+01  0.136898D+01 -0.105058D+02  0.376419D+01
      6   0.498961D+01 -0.419765D+00  0.911072D+01 -0.163771D+02 -0.184614D+00
               101           102           103           104           105 
      1   0.213578D+01  0.634875D+01  0.399497D+01 -0.250391D+01  0.266309D+01
      2  -0.106369D+01 -0.201818D+01 -0.191148D+01  0.466285D+00  0.674230D+00
      3  -0.107210D+01 -0.433057D+01 -0.208350D+01  0.203762D+01 -0.333732D+01
      4   0.568708D+00  0.398234D+00  0.328324D+01 -0.276845D+01  0.252885D+01
      5   0.116770D+01  0.330680D+01  0.546976D+00  0.235803D+01 -0.467851D+01
      6  -0.845780D+00  0.436804D+00  0.139585D+01 -0.196809D+01  0.649649D+01
               106           107           108           109           110 
      1   0.735249D+01  0.146302D+01 -0.119870D+02  0.774649D+02  0.190217D+02
      2  -0.111543D+02  0.391744D+00 -0.218980D+02 -0.379010D+02 -0.882481D+01
      3   0.380185D+01 -0.185476D+01  0.338850D+02 -0.395639D+02 -0.101969D+02
      4  -0.146243D+01  0.655867D+01 -0.270928D+01  0.226189D+02  0.157793D+02
      5   0.195092D+02 -0.329656D+01  0.465093D+02  0.684860D+01  0.245192D+01
      6  -0.192412D+01  0.610096D+01 -0.681121D+01  0.275453D+01  0.159756D+01
               111           112           113           114           115 
      1   0.220512D+01  0.320831D+02  0.113104D+02  0.129298D+01 -0.145126D+02
      2  -0.248716D+01 -0.142477D+02 -0.234438D+01 -0.158041D+01  0.585146D+01
      3   0.282039D+00 -0.178354D+02 -0.896601D+01  0.287433D+00  0.866116D+01
      4   0.161150D+01  0.174510D+02  0.115015D+02 -0.713628D+00 -0.333310D+01
      5   0.105332D+02  0.404706D+01 -0.791475D+00  0.452759D+01  0.110085D+02
      6   0.704629D+00  0.176715D+01  0.958094D+00  0.177842D+01  0.330502D+00
               116           117           118           119           120 
      1  -0.260831D+01  0.583047D+01 -0.342191D+01 -0.971892D+01  0.222994D+01
      2   0.105248D+01 -0.546275D+01  0.380394D+01  0.141285D+02 -0.253619D+01
      3   0.155583D+01 -0.367720D+00 -0.382023D+00 -0.440961D+01  0.306247D+00
      4  -0.515418D+01  0.214622D+01  0.257151D+01 -0.302608D+01  0.196430D+01
      5   0.217844D+01  0.166981D+01 -0.524851D+00  0.318522D+01  0.303051D+00
      6   0.172047D+01 -0.859526D+00 -0.134816D+01 -0.303545D+01  0.187182D+01
               121           122           123           124           125 
      1  -0.628575D+01 -0.251041D+02  0.476991D+01  0.375824D+01  0.106443D+02
      2   0.507245D+01  0.395230D+02 -0.632667D+01 -0.274250D+01 -0.127792D+02
      3   0.121331D+01 -0.144189D+02  0.155676D+01 -0.101575D+01  0.213487D+01
      4   0.476008D+01 -0.199292D+02  0.148112D+01  0.946415D+00  0.504363D+01
      5   0.187281D+01  0.282325D+01 -0.540049D+01  0.385785D+01 -0.483960D+01
      6  -0.147994D+01 -0.616555D+01  0.742080D+01 -0.754165D+00  0.894093D+01
               126           127           128           129           130 
      1  -0.400212D+01  0.168580D+02 -0.425037D+01 -0.636823D+01 -0.375087D+00
      2   0.384514D+01 -0.102678D+02  0.139296D+01  0.455475D+01 -0.138285D+01
      3   0.156972D+00 -0.659028D+01  0.285740D+01  0.181348D+01  0.175794D+01
      4  -0.390565D+01 -0.139334D+02  0.116014D+02  0.116284D+02  0.946548D+01
      5   0.198886D+01 -0.170231D+02  0.105662D+02  0.194451D+02  0.595042D+01
      6  -0.446045D+01  0.814062D+01 -0.723013D+01 -0.906710D+01 -0.561914D+01
               131           132           133           134           135 
      1  -0.228493D+01  0.658934D+00 -0.125025D+02  0.263961D+01  0.332072D+01
      2   0.584892D+01  0.132413D+01  0.860262D+01 -0.494412D-01 -0.100341D+02
      3  -0.356399D+01 -0.198307D+01  0.389992D+01 -0.259017D+01  0.671334D+01
      4  -0.129923D+02 -0.885519D+01  0.177995D+02 -0.165560D+02 -0.163906D+02
      5  -0.848144D+01 -0.655761D+01  0.233179D+02 -0.153175D+02 -0.301619D+02
      6   0.675395D+01  0.829884D+01 -0.125121D+02  0.135659D+02  0.179604D+02
               136           137           138           139           140 
      1  -0.347990D+00  0.652489D-01 -0.511216D+01  0.278613D+01 -0.390258D+01
      2  -0.233896D+01 -0.105446D+01 -0.335290D+01 -0.226226D+01  0.196603D+01
      3   0.268695D+01  0.989207D+00  0.846506D+01 -0.523870D+00  0.193655D+01
      4   0.991915D+00  0.208144D+01  0.142335D+01  0.263733D+01 -0.201538D+01
      5   0.200523D+01  0.348642D+00  0.469303D+01 -0.177656D+01 -0.186729D+01
      6  -0.421535D+00  0.349771D+00  0.342207D+01 -0.141777D+01  0.775190D+00
               141           142           143           144           145 
      1   0.421035D+01 -0.269672D+01 -0.575336D+01 -0.318594D+02  0.362232D+01
      2   0.644447D+01  0.100593D+00  0.237619D+01 -0.214163D+02  0.413722D+01
      3  -0.106548D+02  0.259613D+01  0.337716D+01  0.532757D+02 -0.775954D+01
      4  -0.184186D+01  0.173079D+01 -0.303712D+01 -0.852815D+00 -0.102504D+02
      5   0.230113D+01  0.609017D+01 -0.136648D+01 -0.104934D+02 -0.250869D+01
      6   0.499049D+01  0.422637D+00  0.910664D+01  0.163605D+02  0.250263D+01
               146           147           148           149           150 
      1   0.367716D+01  0.175162D+01  0.196612D+01 -0.233695D+02 -0.691150D+01
      2  -0.109245D+02 -0.278702D+01 -0.101254D+02  0.448333D+02  0.675401D+01
      3   0.724731D+01  0.103541D+01  0.815931D+01 -0.214638D+02  0.157492D+00
      4   0.175860D+02  0.341756D+01  0.165422D+02 -0.307143D+02 -0.746539D+01
      5   0.482463D+01  0.379219D+01  0.567372D+01 -0.841205D+01 -0.530414D+01
      6  -0.727680D+01 -0.369107D+01 -0.791587D+01  0.212879D+02  0.118566D+02
               151           152           153           154           155 
      1   0.254672D+01 -0.700603D+00 -0.573188D+01 -0.341664D+01  0.970829D+01
      2  -0.761813D+00 -0.378614D+01  0.177444D+01  0.379765D+01 -0.141131D+02
      3  -0.178491D+01  0.448674D+01  0.395744D+01 -0.381007D+00  0.440479D+01
      4  -0.174361D+01  0.111057D+01 -0.337083D+01 -0.257034D+01 -0.302189D+01
      5   0.155564D+01 -0.304025D+01 -0.204472D+01 -0.524673D+00 -0.318592D+01
      6  -0.170308D+01  0.667691D+01  0.370227D+01  0.135061D+01 -0.304161D+01
               156           157           158           159           160 
      1   0.223477D+01  0.627921D+01 -0.250955D+02 -0.478030D+01  0.376232D+01
      2  -0.254041D+01 -0.506309D+01  0.395117D+02  0.633942D+01 -0.274409D+01
      3   0.305640D+00 -0.121612D+01 -0.144162D+02 -0.155912D+01 -0.101822D+01
      4  -0.196467D+01  0.476416D+01  0.199370D+02  0.148970D+01 -0.942459D+00
      5   0.302228D+00 -0.187141D+01  0.283176D+01  0.540407D+01  0.385710D+01
      6  -0.187257D+01 -0.148070D+01  0.618538D+01  0.742679D+01  0.754029D+00
               161           162           163           164           165 
      1  -0.106557D+02 -0.401028D+01  0.168402D+02  0.424535D+01 -0.636072D+01
      2   0.127937D+02  0.385150D+01 -0.102555D+02 -0.138776D+01  0.454512D+01
      3  -0.213804D+01  0.158778D+00 -0.658465D+01 -0.285760D+01  0.181560D+01
      4   0.505697D+01  0.391187D+01  0.139248D+02  0.116007D+02 -0.116265D+02
      5   0.484648D+01  0.199614D+01 -0.170079D+02 -0.105649D+02  0.194323D+02
      6   0.895103D+01  0.447105D+01 -0.813694D+01 -0.722963D+01  0.906288D+01
               166           167           168           169           170 
      1   0.375376D+00 -0.228788D+01 -0.658472D+00 -0.124957D+02 -0.263562D+01
      2   0.138476D+01  0.585461D+01 -0.132480D+01  0.859298D+01  0.449282D-01
      3  -0.176013D+01 -0.356672D+01  0.198327D+01  0.390274D+01  0.259070D+01
      4   0.946883D+01  0.130020D+02 -0.885759D+01 -0.177997D+02 -0.165619D+02
      5  -0.595272D+01 -0.848357D+01  0.656284D+01  0.233078D+02  0.153231D+02
      6  -0.562092D+01 -0.675855D+01  0.830382D+01  0.125114D+02  0.135735D+02
               171           172           173           174           175 
      1   0.330950D+01  0.670877D+01 -0.213978D+01  0.634523D+01 -0.399843D+01
      2  -0.100227D+02 -0.561842D+01  0.106545D+01 -0.202395D+01  0.191399D+01
      3   0.671323D+01 -0.109035D+01  0.107434D+01 -0.432128D+01  0.208445D+01
      4   0.163948D+02 -0.289943D+01  0.572200D+00 -0.397900D+00  0.328515D+01
      5  -0.301597D+02  0.377018D+01 -0.116687D+01  0.332048D+01 -0.549236D+00
      6  -0.179673D+02  0.183695D+00 -0.843822D+00 -0.433801D+00  0.139686D+01
               176           177           178           179           180 
      1  -0.250017D+01 -0.265636D+01  0.735540D+01 -0.145683D+01 -0.119685D+02
      2   0.463997D+00 -0.672368D+00 -0.111641D+02 -0.389201D+00 -0.219095D+02
      3   0.203617D+01  0.332872D+01  0.380871D+01  0.184603D+01  0.338779D+02
      4   0.276517D+01  0.252932D+01  0.145888D+01  0.655990D+01  0.269773D+01
      5   0.235869D+01  0.466613D+01  0.195287D+02  0.328487D+01  0.465290D+02
      6   0.196276D+01  0.649305D+01  0.192106D+01  0.609818D+01  0.679398D+01
               181           182           183           184           185 
      1   0.774540D+02 -0.190258D+02  0.218253D+01 -0.320821D+02  0.113117D+02
      2  -0.378919D+02  0.882513D+01 -0.247477D+01  0.142449D+02 -0.234378D+01
      3  -0.395621D+02  0.102007D+02  0.292239D+00  0.178373D+02 -0.896791D+01
      4  -0.226258D+02  0.157819D+02 -0.160385D+01  0.174548D+02 -0.115030D+02
      5   0.681598D+01 -0.244341D+01  0.105296D+02 -0.403301D+01 -0.798471D+00
      6  -0.274937D+01  0.159529D+01 -0.704013D+00  0.176295D+01 -0.954618D+00
               186           187           188           189 
      1  -0.128438D+01 -0.145426D+02  0.261680D+01  0.583455D+01
      2   0.157656D+01  0.586699D+01 -0.105591D+01 -0.546428D+01
      3  -0.292179D+00  0.867558D+01 -0.156089D+01 -0.370271D+00
      4  -0.719944D+00  0.334374D+01 -0.516241D+01 -0.214996D+01
      5  -0.452783D+01  0.110123D+02 -0.218198D+01  0.165885D+01
      6   0.177830D+01 -0.330848D+00  0.172027D+01  0.859869D+00
 Leave Link  716 at Fri Jul 16 20:22:01 2021, MaxMem=  5637144576 cpu:               4.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.122740D+03 -0.383919D-03  0.157439D+01
      2  -0.383919D-03  0.998373D+02  0.119494D-03
      3   0.157439D+01  0.119494D-03  0.945060D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.811476D+01 -0.248539D-03  0.183219D+01
      2  -0.183719D-02 -0.261693D+01  0.366156D-02
      3   0.254588D+02 -0.380340D-03 -0.366173D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.176286D-01 -0.267469D+02 -0.395343D-02
      2   0.550934D-02 -0.817684D+01 -0.110706D-01
      3   0.121193D-01  0.349238D+02  0.150240D-01
      4  -0.289270D+02 -0.109277D-02 -0.119323D+01
      5  -0.261315D-02  0.208858D+01  0.128491D-01
      6  -0.222147D+01 -0.127743D-01  0.172136D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.333998D+01  0.307213D+01 -0.525404D+01 -0.111676D+01 -0.329172D+01
      2   0.307213D+01 -0.434180D+01  0.972091D+00 -0.329172D+01 -0.269294D+01
      3  -0.525404D+01  0.972091D+00  0.275335D+01  0.192165D+01 -0.115507D+01
                 6             7             8             9            10 
      1   0.192165D+01 -0.186950D+01 -0.113019D+01  0.181957D+01  0.145686D+00
      2  -0.115507D+01 -0.113019D+01 -0.246154D+01  0.210057D+01  0.679223D+00
      3   0.311365D+01  0.181957D+01  0.210057D+01  0.294433D+01 -0.130667D+01
                11            12            13            14            15 
      1   0.679223D+00 -0.130667D+01  0.227732D+01 -0.875582D+00 -0.290696D+01
      2   0.186274D+00  0.766953D+00 -0.875582D+00  0.106246D+01  0.110809D+01
      3   0.766953D+00 -0.132168D+00 -0.290696D+01  0.110809D+01 -0.135816D+01
                16            17            18            19            20 
      1  -0.506717D+01 -0.106786D+01  0.134899D+01 -0.110410D-02 -0.587004D+00
      2  -0.106786D+01  0.294968D+01 -0.980393D+00 -0.587004D+00  0.161918D-03
      3   0.134899D+01 -0.980393D+00  0.286270D-01 -0.552115D-04 -0.240295D+00
                21            22            23            24            25 
      1  -0.552115D-04  0.176440D+01 -0.174849D-02  0.339881D+01  0.690171D-03
      2  -0.240295D+00 -0.174849D-02  0.768236D+00  0.222031D-04  0.490403D+01
      3   0.243764D-04  0.339881D+01  0.222031D-04 -0.219901D+01  0.201813D-02
                26            27            28            29            30 
      1   0.490403D+01  0.201813D-02  0.197759D+00 -0.347892D+01  0.293547D+01
      2   0.293766D-03 -0.891992D+00 -0.347892D+01 -0.396938D+00 -0.469726D+00
      3  -0.891992D+00 -0.119513D-02  0.293547D+01 -0.469726D+00  0.195292D+01
                31            32            33            34            35 
      1  -0.577850D+01  0.228857D+01 -0.208697D+00  0.424151D+01  0.134103D+01
      2   0.228857D+01  0.222422D+01  0.310781D+01  0.134103D+01  0.187555D+01
      3  -0.208697D+00  0.310781D+01  0.247812D+01  0.628198D+00  0.152361D+01
                36            37            38            39            40 
      1   0.628198D+00  0.119037D+01 -0.278117D+01  0.724967D+00 -0.202740D+01
      2   0.152361D+01 -0.278117D+01  0.292521D+01 -0.336546D+01  0.248529D+01
      3  -0.334516D+01  0.724967D+00 -0.336546D+01 -0.349472D+01 -0.104208D+01
                41            42            43            44            45 
      1   0.248529D+01 -0.104208D+01  0.240109D+01 -0.412158D+01 -0.276635D+01
      2  -0.164403D+01 -0.211891D+01 -0.412158D+01 -0.222172D+01  0.451563D-01
      3  -0.211891D+01 -0.363707D+00 -0.276635D+01  0.451563D-01  0.654790D+00
                46            47            48            49            50 
      1  -0.333923D+01  0.306959D+01  0.525368D+01 -0.111704D+01  0.329231D+01
      2   0.306959D+01  0.434122D+01  0.973428D+00  0.329231D+01 -0.269408D+01
      3   0.525368D+01  0.973428D+00 -0.275538D+01  0.192342D+01  0.115241D+01
                51            52            53            54            55 
      1   0.192342D+01  0.186784D+01 -0.112939D+01 -0.182203D+01 -0.140281D+00
      2   0.115241D+01 -0.112939D+01  0.245877D+01  0.210155D+01  0.679400D+00
      3   0.311353D+01 -0.182203D+01  0.210155D+01 -0.294093D+01  0.130710D+01
                56            57            58            59            60 
      1   0.679400D+00  0.130710D+01  0.227568D+01  0.876916D+00 -0.290630D+01
      2  -0.187104D+00  0.766539D+00  0.876916D+00  0.106510D+01 -0.110652D+01
      3   0.766539D+00  0.132469D+00 -0.290630D+01 -0.110652D+01 -0.135798D+01
                61            62            63            64            65 
      1   0.506793D+01 -0.106769D+01 -0.135100D+01 -0.119211D+01 -0.278471D+01
      2  -0.106769D+01 -0.294840D+01 -0.981972D+00 -0.278471D+01 -0.292151D+01
      3  -0.135100D+01 -0.981972D+00 -0.297449D-01 -0.724113D+00 -0.336703D+01
                66            67            68            69            70 
      1  -0.724113D+00 -0.202901D+01 -0.248224D+01 -0.104349D+01 -0.240022D+01
      2  -0.336703D+01 -0.248224D+01 -0.164604D+01  0.211983D+01 -0.412231D+01
      3   0.349174D+01 -0.104349D+01  0.211983D+01 -0.360932D+00  0.276436D+01
                71            72            73            74            75 
      1  -0.412231D+01  0.276436D+01 -0.204263D+00 -0.347795D+01 -0.293776D+01
      2   0.222290D+01  0.495091D-01 -0.347795D+01  0.397795D+00 -0.467429D+00
      3   0.495091D-01 -0.658554D+00 -0.293776D+01 -0.467429D+00 -0.194984D+01
                76            77            78            79            80 
      1  -0.577691D+01 -0.228922D+01 -0.207127D+00 -0.424411D+01  0.134270D+01
      2  -0.228922D+01  0.222705D+01 -0.310787D+01  0.134270D+01 -0.187601D+01
      3  -0.207127D+00 -0.310787D+01  0.247471D+01 -0.623818D+00  0.152085D+01
                81            82            83            84            85 
      1  -0.623818D+00  0.168793D+01  0.149450D+01 -0.190971D+00  0.307787D+01
      2   0.152085D+01  0.149450D+01  0.330147D+01 -0.849224D+00  0.296237D+01
      3   0.334913D+01 -0.190971D+00 -0.849224D+00  0.418006D+00 -0.963107D+00
                86            87            88            89            90 
      1   0.296237D+01 -0.963107D+00  0.100401D+01 -0.113775D-01  0.207154D+00
      2   0.955481D+01 -0.211725D+01 -0.113775D-01  0.472317D+00  0.112464D+01
      3  -0.211725D+01  0.188199D+01  0.207154D+00  0.112464D+01 -0.122869D+01
                91            92            93            94            95 
      1  -0.950698D+00 -0.678077D-01 -0.265040D+00 -0.998169D+00  0.562818D+00
      2  -0.678077D-01  0.181154D+00  0.426058D-01  0.562818D+00  0.458866D+00
      3  -0.265040D+00  0.426058D-01 -0.171447D+01 -0.279340D+00 -0.108731D+01
                96            97            98            99           100 
      1  -0.279340D+00 -0.185290D+01  0.755479D-01 -0.207383D+00  0.876060D+00
      2  -0.108731D+01  0.755479D-01 -0.167533D+01  0.111323D+01  0.618640D+00
      3  -0.186043D+01 -0.207383D+00  0.111323D+01 -0.101335D+02  0.715799D+00
               101           102           103           104           105 
      1   0.618640D+00  0.715799D+00  0.587076D+00  0.297469D+00  0.164899D+00
      2  -0.244049D+00  0.272608D+00  0.297469D+00 -0.590983D+00  0.537543D+00
      3   0.272608D+00 -0.458675D+00  0.164899D+00  0.537543D+00 -0.102859D+01
               106           107           108           109           110 
      1   0.267466D+01 -0.345220D+00  0.268593D+01  0.105369D+02  0.274267D+01
      2  -0.345220D+00  0.129809D+01 -0.695660D+00  0.274267D+01  0.192789D+01
      3   0.268593D+01 -0.695660D+00  0.927860D+01  0.541526D+00  0.195367D+00
               111           112           113           114           115 
      1   0.541526D+00  0.516048D+01  0.185300D+01  0.259788D+00 -0.208855D+01
      2   0.195367D+00  0.185300D+01  0.137756D+01 -0.171427D+00 -0.373604D+00
      3   0.121367D+01  0.259788D+00 -0.171427D+00  0.645704D+00  0.136012D+01
               116           117           118           119           120 
      1  -0.373604D+00  0.136012D+01 -0.108580D+01 -0.486881D+00  0.398890D-01
      2  -0.916345D+00  0.220011D+00 -0.486881D+00 -0.286889D+01  0.947061D+00
      3   0.220011D+00  0.476617D+00  0.398890D-01  0.947061D+00 -0.329380D+00
               121           122           123           124           125 
      1  -0.143754D+01 -0.343526D+00  0.390007D+00  0.827456D+00  0.735466D+00
      2  -0.343526D+00 -0.763051D+01  0.100489D+01  0.735466D+00  0.235460D+01
      3   0.390007D+00  0.100489D+01 -0.134641D+01  0.344378D+00 -0.144597D+01
               126           127           128           129           130 
      1   0.344378D+00  0.336660D+01 -0.149784D+01 -0.209572D+01 -0.625861D+00
      2  -0.144597D+01 -0.149784D+01  0.139296D+01  0.160777D+01  0.114922D+01
      3   0.881362D+00 -0.209572D+01  0.160777D+01  0.280169D+01  0.963945D+00
               131           132           133           134           135 
      1   0.114922D+01  0.963945D+00 -0.414091D+01  0.244547D+01  0.333787D+01
      2  -0.250318D+01 -0.134259D+01  0.244547D+01 -0.273580D+01 -0.255884D+01
      3  -0.134259D+01 -0.106273D+01  0.333787D+01 -0.255884D+01 -0.517276D+01
               136           137           138           139           140 
      1   0.951969D+00 -0.677918D-01  0.265136D+00 -0.998658D+00 -0.562568D+00
      2  -0.677918D-01 -0.180676D+00  0.425227D-01 -0.562568D+00  0.458129D+00
      3   0.265136D+00  0.425227D-01  0.171659D+01 -0.279801D+00  0.108766D+01
               141           142           143           144           145 
      1  -0.279801D+00  0.185276D+01  0.756023D-01  0.209413D+00 -0.168849D+01
      2   0.108766D+01  0.756023D-01  0.167489D+01  0.111152D+01  0.149450D+01
      3  -0.186138D+01  0.209413D+00  0.111152D+01  0.101321D+02  0.191536D+00
               146           147           148           149           150 
      1   0.149450D+01  0.191536D+00  0.307815D+01 -0.296198D+01 -0.963726D+00
      2  -0.330137D+01 -0.849945D+00 -0.296198D+01  0.955264D+01  0.211871D+01
      3  -0.849945D+00 -0.418408D+00 -0.963726D+00  0.211871D+01  0.188264D+01
               151           152           153           154           155 
      1  -0.100284D+01 -0.119104D-01 -0.207097D+00  0.108443D+01 -0.485837D+00
      2  -0.119104D-01 -0.470052D+00  0.112472D+01 -0.485837D+00  0.286598D+01
      3  -0.207097D+00  0.112472D+01  0.122956D+01 -0.403056D-01  0.947886D+00
               156           157           158           159           160 
      1  -0.403056D-01 -0.143688D+01  0.341643D+00  0.390119D+00 -0.828644D+00
      2   0.947886D+00  0.341643D+00 -0.762981D+01 -0.100794D+01  0.735045D+00
      3   0.329728D+00  0.390119D+00 -0.100794D+01 -0.134733D+01 -0.344186D+00
               161           162           163           164           165 
      1   0.735045D+00 -0.344186D+00 -0.336316D+01 -0.149686D+01  0.209398D+01
      2  -0.235859D+01 -0.144794D+01 -0.149686D+01 -0.139305D+01  0.160780D+01
      3  -0.144794D+01 -0.883468D+00  0.209398D+01  0.160780D+01 -0.279971D+01
               166           167           168           169           170 
      1  -0.626370D+00 -0.114993D+01  0.964420D+00  0.413979D+01  0.244588D+01
      2  -0.114993D+01 -0.250494D+01  0.134302D+01  0.244588D+01  0.273713D+01
      3   0.964420D+00  0.134302D+01 -0.106384D+01 -0.333657D+01 -0.256024D+01
               171           172           173           174           175 
      1  -0.333657D+01 -0.877572D+00  0.618908D+00 -0.716173D+00  0.588023D+00
      2  -0.256024D+01  0.618908D+00  0.243285D+00  0.272149D+00 -0.297787D+00
      3   0.517340D+01 -0.716173D+00  0.272149D+00  0.455918D+00  0.165118D+00
               176           177           178           179           180 
      1  -0.297787D+00  0.165118D+00 -0.267600D+01 -0.344772D+00 -0.268888D+01
      2  -0.590157D+00 -0.537270D+00 -0.344772D+00 -0.129792D+01 -0.693055D+00
      3  -0.537270D+00 -0.102584D+01 -0.268888D+01 -0.693055D+00 -0.927938D+01
               181           182           183           184           185 
      1  -0.105349D+02  0.274322D+01 -0.538239D+00  0.516009D+01 -0.185329D+01
      2   0.274322D+01 -0.192802D+01  0.194320D+00 -0.185329D+01  0.137760D+01
      3  -0.538239D+00  0.194320D+00 -0.121336D+01  0.258460D+00  0.172175D+00
               186           187           188           189 
      1   0.258460D+00  0.209311D+01 -0.374865D+00 -0.136069D+01
      2   0.172175D+00 -0.374865D+00  0.917486D+00  0.220705D+00
      3   0.646004D+00 -0.136069D+01  0.220705D+00 -0.475069D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.391896D+01  0.488630D+01 -0.621827D+01  0.515286D+01  0.846072D+01
      2  -0.203180D+01  0.207710D+01  0.228064D+01  0.412816D+01 -0.718392D+01
      3  -0.453862D-01  0.369175D+01 -0.632004D+01  0.585465D+01 -0.237903D+01
                 6             7             8             9            10 
      1  -0.772196D+01 -0.329863D+01  0.393569D+01 -0.970440D+01 -0.219237D+00
      2   0.535003D+01 -0.478118D+01  0.193901D+01  0.628578D+01 -0.702286D+00
      3   0.315947D+01 -0.557194D+01  0.225305D+01  0.108712D+01  0.485355D+01
                11            12            13            14            15 
      1   0.816271D+00  0.225796D+01 -0.236787D+01  0.899626D+00 -0.386079D+01
      2  -0.267426D+00  0.376559D+01 -0.221191D+01  0.205967D+01 -0.495378D+01
      3  -0.786521D+01  0.140261D+00  0.124885D+02 -0.360910D+01 -0.153347D+01
                16            17            18            19            20 
      1  -0.717182D+01  0.434760D+01 -0.844460D-01  0.138986D-02 -0.192451D+01
      2  -0.923714D+01  0.237265D+01 -0.259897D+00 -0.392278D+01 -0.868610D-03
      3  -0.316647D+00 -0.595871D+01  0.282194D+01 -0.574784D-03 -0.503929D+01
                21            22            23            24            25 
      1  -0.451259D-04  0.356333D+01 -0.326267D-03 -0.105660D+01 -0.976556D-03
      2   0.617104D+01 -0.260177D-03 -0.498342D+00  0.279651D-03 -0.136307D+02
      3   0.241552D-03  0.140765D+02 -0.266468D-02 -0.783639D+00  0.502219D-03
                26            27            28            29            30 
      1   0.323793D+01  0.168234D-02 -0.363173D+01  0.113581D+01  0.275187D+00
      2  -0.521118D-03  0.158365D+01  0.128098D+02  0.242148D+01  0.836072D+01
      3   0.515149D+01  0.204463D-02  0.926181D+01 -0.244994D+01  0.650469D+00
                31            32            33            34            35 
      1  -0.151843D+01  0.382232D+01  0.459072D+00  0.250623D+01  0.489673D+01
      2   0.435817D+01  0.930101D+01  0.785570D+01 -0.549564D+01  0.372862D+01
      3  -0.250588D+01 -0.838972D+01 -0.901589D+01 -0.310965D+01 -0.831525D+01
                36            37            38            39            40 
      1   0.285825D+01  0.170810D+01 -0.807055D+01 -0.404860D+01 -0.474905D+01
      2  -0.127914D+02 -0.601750D+00 -0.727345D+01 -0.565496D+01 -0.439471D+01
      3  -0.627371D+01  0.748727D+01 -0.846422D+01  0.710647D+01  0.758605D+00
                41            42            43            44            45 
      1  -0.493171D+01 -0.295400D+01 -0.585151D+01  0.617105D+01  0.146529D+01
      2  -0.352097D+01 -0.245161D+01 -0.718071D+01 -0.171138D+01 -0.375276D+00
      3  -0.790093D+00  0.937936D+01  0.842067D+01  0.129911D+02  0.644564D+01
                46            47            48            49            50 
      1  -0.392050D+01  0.488522D+01  0.622318D+01  0.515202D+01 -0.845888D+01
      2  -0.203169D+01 -0.207617D+01  0.228227D+01 -0.412772D+01 -0.718188D+01
      3   0.447691D-01  0.368740D+01  0.632005D+01  0.585099D+01  0.237729D+01
                51            52            53            54            55 
      1  -0.772507D+01  0.330595D+01  0.393026D+01  0.969892D+01  0.219293D+00
      2  -0.535188D+01 -0.477804D+01 -0.194218D+01  0.628444D+01 -0.702978D+00
      3   0.315869D+01  0.557053D+01  0.225226D+01 -0.108943D+01 -0.485248D+01
                56            57            58            59            60 
      1   0.815605D+00 -0.225823D+01 -0.236952D+01 -0.899958D+00 -0.386025D+01
      2   0.267899D+00  0.376571D+01  0.221159D+01  0.205730D+01  0.495326D+01
      3  -0.786566D+01 -0.140432D+00  0.124895D+02  0.361383D+01 -0.152968D+01
                61            62            63            64            65 
      1   0.717150D+01  0.434672D+01  0.857560D-01 -0.170514D+01 -0.806931D+01
      2  -0.923579D+01 -0.236977D+01 -0.258397D+00 -0.602256D+00  0.727883D+01
      3   0.317841D+00 -0.595678D+01 -0.282515D+01 -0.749458D+01 -0.844853D+01
                66            67            68            69            70 
      1   0.404518D+01 -0.474823D+01  0.493315D+01 -0.294760D+01  0.584977D+01
      2  -0.564898D+01  0.439770D+01 -0.352621D+01  0.244488D+01 -0.717642D+01
      3  -0.711393D+01  0.772878D+00  0.778274D+00  0.938609D+01 -0.842445D+01
                71            72            73            74            75 
      1   0.617963D+01 -0.146916D+01  0.362993D+01  0.113517D+01 -0.276244D+00
      2   0.169954D+01 -0.363900D+00  0.128121D+02 -0.242766D+01  0.834889D+01
      3   0.129978D+02 -0.643128D+01 -0.925921D+01 -0.245107D+01 -0.643532D+00
                76            77            78            79            80 
      1  -0.151764D+01 -0.382241D+01  0.456809D+00 -0.250851D+01  0.489416D+01
      2  -0.436151D+01  0.930153D+01 -0.784405D+01 -0.551194D+01 -0.371700D+01
      3  -0.250983D+01  0.840096D+01 -0.901808D+01  0.311291D+01 -0.831694D+01
                81            82            83            84            85 
      1  -0.285541D+01 -0.246463D+01 -0.367765D+01 -0.356431D+00 -0.247604D+01
      2  -0.128012D+02  0.193258D+01  0.935420D+00  0.111620D+01  0.284251D+01
      3   0.626397D+01  0.131531D+01 -0.330705D+01  0.867262D+00  0.466298D+01
                86            87            88            89            90 
      1  -0.109028D+02 -0.243664D+01 -0.318062D+00 -0.125074D+01  0.401638D+00
      2   0.168521D+01  0.158988D+01 -0.250777D+00  0.120764D+01 -0.944939D+00
      3  -0.464919D+01  0.541529D+00  0.132459D+01 -0.145723D+00 -0.700049D+00
                91            92            93            94            95 
      1   0.152389D+01  0.169447D-01  0.306631D+01 -0.364507D+00  0.135653D+01
      2  -0.286602D+01 -0.388624D+00 -0.914293D+00 -0.195308D+01 -0.615885D+00
      3  -0.826640D+00 -0.467253D+00 -0.377057D+00 -0.393977D+00  0.688663D-01
                96            97            98            99           100 
      1   0.311010D+01  0.352477D+00  0.376596D+01  0.135425D+02  0.105877D+01
      2  -0.273232D+01 -0.620884D+01  0.112414D+01 -0.108079D+02  0.244007D+01
      3   0.402887D+00 -0.259713D+01  0.123378D+01 -0.146215D+01 -0.140924D+01
               101           102           103           104           105 
      1  -0.685574D-01  0.315414D+00  0.911422D-01 -0.780911D+00 -0.790045D+00
      2   0.228987D+00 -0.137902D+01 -0.422489D+00  0.156605D+01 -0.330440D+01
      3  -0.156543D+00 -0.107614D+01 -0.242257D+00  0.153356D+01 -0.124719D+01
               106           107           108           109           110 
      1   0.284128D-01  0.424444D+01  0.127051D+01  0.331532D+01  0.184375D+01
      2   0.223603D+01 -0.177279D+01  0.262538D+02 -0.671084D+01 -0.143539D+01
      3   0.759688D+00 -0.407581D+01  0.185215D+01 -0.807193D+01 -0.888943D+01
               111           112           113           114           115 
      1  -0.660835D+00  0.214874D+01  0.126149D+01 -0.110513D+01 -0.459960D+00
      2   0.596203D+01 -0.282596D+01 -0.207820D+01  0.266203D+01  0.440704D+01
      3  -0.757006D+00 -0.314097D+01 -0.443180D+01  0.568463D+00  0.887117D+00
               116           117           118           119           120 
      1   0.351776D+00  0.683860D+00  0.914171D+00  0.271552D+01 -0.178477D+01
      2   0.116182D+01  0.379056D+00  0.567883D+00  0.132435D+01 -0.159014D+00
      3   0.273850D+01 -0.620622D+00  0.524458D+01  0.783891D+01 -0.297725D+01
               121           122           123           124           125 
      1   0.623211D+00  0.439537D+01 -0.521172D+01  0.411737D+00 -0.234518D+01
      2   0.569153D+00  0.170992D+01 -0.212517D+01 -0.226460D+00 -0.281789D+01
      3   0.627236D+01  0.201627D+02 -0.333839D+01 -0.390946D+01 -0.748126D+01
               126           127           128           129           130 
      1   0.254335D+01 -0.330466D+01  0.136428D+01  0.458549D+01  0.128492D+01
      2   0.139317D+01 -0.248133D+01  0.339296D+01  0.716189D+01  0.156239D+01
      3   0.349943D+01 -0.158892D+01 -0.237029D+01 -0.110386D+01 -0.107639D+00
               131           132           133           134           135 
      1  -0.717432D+00 -0.258570D+01  0.421374D+01 -0.775692D+00 -0.792362D+01
      2  -0.267310D+01 -0.258402D+01  0.286821D+01 -0.433047D+01 -0.103177D+02
      3   0.506190D+01  0.186737D+01  0.463005D+00  0.418392D+01  0.140011D+01
               136           137           138           139           140 
      1  -0.152481D+01  0.188386D-01 -0.306903D+01 -0.363528D+00 -0.135790D+01
      2  -0.286952D+01  0.388686D+00 -0.916405D+00  0.195518D+01 -0.616480D+00
      3   0.827660D+00 -0.466719D+00  0.377387D+00 -0.393778D+00 -0.692076D-01
               141           142           143           144           145 
      1   0.311142D+01 -0.355465D+00  0.376862D+01 -0.135381D+02  0.246461D+01
      2   0.273370D+01 -0.621190D+01 -0.112210D+01 -0.108069D+02  0.193327D+01
      3   0.402363D+00  0.259565D+01  0.123219D+01  0.146238D+01 -0.131575D+01
               146           147           148           149           150 
      1  -0.367816D+01  0.355657D+00 -0.247551D+01  0.109014D+02 -0.243385D+01
      2  -0.935103D+00  0.111593D+01 -0.284351D+01  0.168518D+01 -0.158925D+01
      3  -0.330666D+01 -0.867578D+00  0.466271D+01  0.464633D+01  0.541538D+00
               151           152           153           154           155 
      1   0.316817D+00 -0.124721D+01 -0.402468D+00 -0.914031D+00  0.271384D+01
      2  -0.252039D+00 -0.120692D+01 -0.945780D+00  0.570467D+00 -0.132698D+01
      3  -0.132329D+01 -0.144284D+00  0.700237D+00 -0.523767D+01  0.782938D+01
               156           157           158           159           160 
      1   0.178444D+01  0.622627D+00 -0.439531D+01 -0.521393D+01 -0.411820D+00
      2  -0.160333D+00 -0.571574D+00  0.171774D+01  0.212822D+01 -0.227828D+00
      3   0.298011D+01  0.626593D+01 -0.201579D+02 -0.334670D+01  0.391135D+01
               161           162           163           164           165 
      1  -0.234854D+01 -0.254813D+01  0.330292D+01  0.136573D+01 -0.458340D+01
      2   0.282288D+01  0.139742D+01 -0.248068D+01 -0.339418D+01  0.715815D+01
      3  -0.749105D+01 -0.350533D+01  0.158696D+01 -0.237122D+01  0.110657D+01
               166           167           168           169           170 
      1   0.128590D+01  0.718340D+00 -0.258839D+01 -0.421335D+01 -0.778762D+00
      2  -0.156273D+01 -0.267380D+01  0.258639D+01  0.286695D+01  0.433399D+01
      3  -0.108173D+00 -0.506501D+01  0.186743D+01 -0.461475D+00  0.418540D+01
               171           172           173           174           175 
      1   0.792649D+01 -0.105844D+01 -0.667744D-01 -0.315757D+00  0.912704D-01
      2  -0.103206D+02  0.243864D+01 -0.227695D+00 -0.137031D+01  0.423047D+00
      3  -0.140454D+01  0.141070D+01 -0.158996D+00  0.107468D+01 -0.243103D+00
               176           177           178           179           180 
      1   0.779561D+00 -0.789195D+00 -0.285937D-01  0.424452D+01 -0.126801D+01
      2   0.156485D+01  0.329638D+01  0.224561D+01  0.176572D+01  0.262566D+02
      3  -0.153152D+01 -0.124623D+01 -0.760265D+00 -0.407654D+01 -0.184499D+01
               181           182           183           184           185 
      1  -0.331420D+01  0.184224D+01  0.662805D+00  0.214839D+01 -0.126092D+01
      2  -0.671499D+01  0.143790D+01  0.596384D+01  0.282754D+01 -0.207968D+01
      3   0.806996D+01 -0.888939D+01  0.753270D+00 -0.314018D+01  0.443135D+01
               186           187           188           189 
      1  -0.110611D+01  0.461862D+00  0.351065D+00 -0.684494D+00
      2  -0.266426D+01  0.441173D+01 -0.116478D+01  0.373457D+00
      3   0.570563D+00 -0.889538D+00  0.274287D+01  0.622220D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.745051D+01  0.150220D+02 -0.504766D+01  0.652333D+01 -0.219077D+01
      2  -0.200328D+01 -0.183423D+02  0.123787D+02 -0.106104D+02 -0.152191D+02
      3   0.945380D+01  0.332039D+01 -0.733104D+01  0.408710D+01  0.174099D+02
      4   0.663386D+01 -0.456388D+01 -0.394119D+01 -0.824835D+01 -0.172061D+02
      5  -0.140888D+02 -0.246120D+01  0.134039D+02  0.128717D+01  0.329822D+01
      6  -0.153086D+02  0.805442D+01  0.216491D+01  0.939173D+01  0.336378D+00
                 6             7             8             9            10 
      1   0.904819D+01  0.810798D+00  0.561134D+01  0.105274D+02  0.177997D+01
      2   0.118930D+01  0.424794D+01 -0.301832D+01  0.123331D+02 -0.275856D+01
      3  -0.102375D+02 -0.505874D+01 -0.259302D+01 -0.228604D+02  0.978584D+00
      4   0.146237D+01 -0.684690D+01 -0.344910D+01  0.725744D+01  0.380896D+01
      5   0.298386D+01  0.998717D+01  0.513600D+01 -0.287351D+01 -0.119858D+02
      6   0.709656D+01  0.482884D+01  0.745726D+01 -0.400057D+01  0.209599D+01
                11            12            13            14            15 
      1   0.204156D+00 -0.534691D+01 -0.110700D+01 -0.152543D+01 -0.534938D+01
      2   0.257776D+01  0.179902D+01  0.424434D+01 -0.203361D+00  0.199574D+01
      3  -0.278191D+01  0.354789D+01 -0.313734D+01  0.172879D+01  0.335364D+01
      4  -0.117361D+01  0.469047D+01 -0.609034D+01  0.823128D+01  0.205791D+01
      5   0.620303D+01 -0.997388D+00 -0.193533D+01  0.448182D+00 -0.261650D+01
      6  -0.208814D+01  0.155185D+01 -0.414166D+01  0.173908D+01 -0.107695D-01
                16            17            18            19            20 
      1  -0.106931D+02 -0.309506D+01 -0.575664D+00 -0.442613D+01 -0.203786D-02
      2   0.546290D+01  0.213236D+01 -0.263657D+01  0.694926D+01 -0.147678D-03
      3   0.523019D+01  0.962699D+00  0.321223D+01 -0.252312D+01  0.218553D-02
      4   0.160634D+01  0.607314D+01 -0.202652D+01 -0.359901D-02 -0.213998D+00
      5  -0.530528D+00 -0.137248D+01  0.140297D+00  0.136277D+02  0.955242D-03
      6   0.481852D+01 -0.748339D+00  0.137479D+01  0.288567D-02  0.231963D+01
                21            22            23            24            25 
      1   0.215682D+01 -0.139703D-02 -0.128588D+01  0.232706D-02 -0.380723D+01
      2  -0.365202D+01 -0.162843D-02  0.380540D+01 -0.141278D-02  0.155976D-01
      3   0.149520D+01  0.302546D-02 -0.251952D+01 -0.914287D-03  0.379164D+01
      4   0.172256D-02 -0.277017D+01  0.200300D-02  0.198143D+00  0.471621D-02
      5  -0.873911D+01  0.562356D-02  0.167344D+00  0.517315D-03 -0.149767D+02
      6   0.518494D-04  0.704512D+01  0.197721D-03 -0.229017D+01  0.100152D-02
                26            27            28            29            30 
      1  -0.324662D-03 -0.384352D+01 -0.109306D+02 -0.191588D+02  0.154926D+02
      2   0.102009D-02  0.167576D+01  0.111427D+01  0.877981D+01 -0.876357D+01
      3  -0.695424D-03  0.216776D+01  0.981632D+01  0.103790D+02 -0.672907D+01
      4   0.719642D+00 -0.484051D-03 -0.251572D+02 -0.194405D+01 -0.431515D+01
      5  -0.775230D-03  0.470186D+01  0.211105D+02 -0.482082D+01  0.133040D+02
      6  -0.137093D+01 -0.155702D-02 -0.570792D+01  0.635222D+00 -0.323413D+01
                31            32            33            34            35 
      1  -0.295521D+02  0.546176D+01 -0.107878D+01  0.271072D+02  0.265888D+01
      2   0.136816D+02 -0.595378D+01 -0.270177D+01 -0.117935D+02 -0.468675D+01
      3   0.158705D+02  0.492014D+00  0.378055D+01 -0.153137D+02  0.202787D+01
      4   0.720647D+01  0.124304D+02  0.150485D+02  0.258358D+01  0.107513D+02
      5  -0.528056D+01  0.168926D+02  0.104060D+02  0.865693D+01  0.665210D+01
      6  -0.812765D-01  0.289645D+01  0.205807D+01 -0.204938D+01  0.179214D+01
                36            37            38            39            40 
      1   0.170850D+02 -0.240823D+00 -0.523590D+01 -0.618893D+01 -0.368756D+01
      2   0.250289D+01  0.744198D+01 -0.825701D+01  0.450626D+01 -0.757742D+01
      3  -0.195879D+02 -0.720116D+01  0.134929D+02  0.168267D+01  0.112650D+02
      4   0.550144D+01 -0.100422D+02  0.131146D+02 -0.126673D+02  0.157457D+02
      5  -0.138621D+02  0.637381D+01 -0.147363D+02 -0.161590D+02 -0.664928D+01
      6   0.370515D+01 -0.162793D+00  0.867614D+01  0.925779D+01  0.535916D+01
                41            42            43            44            45 
      1   0.114736D+02 -0.101992D+02  0.202342D+00 -0.199461D+02 -0.121916D+02
      2  -0.427568D+01  0.117053D+02  0.164621D+01  0.167362D+02  0.865532D+01
      3  -0.719792D+01 -0.150619D+01 -0.184855D+01  0.320985D+01  0.353630D+01
      4  -0.185670D+02 -0.302058D+01 -0.174628D+02 -0.170689D+01  0.584651D+01
      5  -0.635737D+01  0.617647D+00 -0.145999D+02  0.310287D+01  0.757375D+01
      6   0.576308D+01 -0.158015D+01  0.114364D+02 -0.400789D+01 -0.315385D+01
                46            47            48            49            50 
      1  -0.745153D+01 -0.150173D+02 -0.504214D+01 -0.652574D+01 -0.218582D+01
      2  -0.201031D+01  0.183357D+02  0.123865D+02  0.106055D+02 -0.152171D+02
      3   0.946184D+01 -0.331840D+01 -0.734432D+01 -0.407974D+01  0.174029D+02
      4  -0.662166D+01 -0.456603D+01  0.393543D+01 -0.825041D+01  0.172050D+02
      5  -0.140862D+02  0.245504D+01  0.134055D+02 -0.129638D+01  0.330649D+01
      6   0.153012D+02  0.805825D+01 -0.216229D+01  0.939760D+01 -0.350060D+00
                51            52            53            54            55 
      1  -0.904814D+01  0.818858D+00 -0.561052D+01  0.105253D+02  0.176417D+01
      2  -0.119656D+01  0.425539D+01  0.300634D+01  0.123252D+02 -0.275077D+01
      3   0.102447D+02 -0.507425D+01  0.260417D+01 -0.228505D+02  0.986601D+00
      4   0.147128D+01  0.684120D+01 -0.344025D+01 -0.725875D+01 -0.381282D+01
      5  -0.297826D+01  0.999004D+01 -0.513497D+01 -0.288769D+01 -0.119894D+02
      6   0.708975D+01 -0.482923D+01  0.745208D+01  0.401295D+01 -0.209596D+01
                56            57            58            59            60 
      1  -0.205998D+00 -0.534671D+01  0.110926D+01 -0.152967D+01  0.534753D+01
      2  -0.257553D+01  0.180078D+01 -0.424387D+01 -0.201138D+00 -0.199528D+01
      3   0.278153D+01  0.354594D+01  0.313462D+01  0.173081D+01 -0.335225D+01
      4  -0.117062D+01 -0.469005D+01 -0.609292D+01 -0.823724D+01  0.205412D+01
      5  -0.620112D+01 -0.999352D+00  0.193803D+01  0.446066D+00  0.261604D+01
      6  -0.208858D+01 -0.155217D+01 -0.413941D+01 -0.173591D+01 -0.939165D-02
                61            62            63            64            65 
      1  -0.106973D+02  0.309641D+01 -0.568755D+00 -0.235147D+00  0.525905D+01
      2   0.546533D+01 -0.213410D+01 -0.263982D+01  0.744401D+01  0.823274D+01
      3   0.523196D+01 -0.962307D+00  0.320857D+01 -0.720886D+01 -0.134918D+02
      4  -0.160643D+01  0.606972D+01  0.203278D+01  0.100567D+02  0.131099D+02
      5  -0.522198D+00  0.137849D+01  0.145053D+00  0.636424D+01  0.147416D+02
      6  -0.481687D+01 -0.746620D+00 -0.137607D+01  0.160583D+00  0.868392D+01
                66            67            68            69            70 
      1  -0.619548D+01  0.370266D+01  0.114626D+02  0.102080D+02  0.194954D+00
      2   0.451920D+01  0.756055D+01 -0.426381D+01 -0.117141D+02  0.165681D+01
      3   0.167628D+01 -0.112632D+02 -0.719877D+01  0.150612D+01 -0.185176D+01
      4   0.126723D+02  0.157393D+02  0.185635D+02 -0.301888D+01  0.174642D+02
      5  -0.161450D+02  0.665400D+01 -0.635689D+01 -0.627593D+00 -0.145889D+02
      6  -0.925160D+01  0.536590D+01 -0.576929D+01 -0.159261D+01 -0.114329D+02
                71            72            73            74            75 
      1   0.199518D+02 -0.121684D+02 -0.108949D+02  0.191580D+02  0.155166D+02
      2  -0.167446D+02  0.863741D+01  0.109483D+01 -0.877773D+01 -0.877022D+01
      3  -0.320719D+01  0.353097D+01  0.980002D+01 -0.103803D+02 -0.674637D+01
      4  -0.170714D+01 -0.585945D+01  0.251539D+02 -0.194948D+01  0.430136D+01
      5  -0.311860D+01  0.758598D+01  0.211370D+02  0.480594D+01  0.132903D+02
      6  -0.402370D+01  0.316258D+01  0.570100D+01  0.634054D+00  0.322867D+01
                76            77            78            79            80 
      1   0.295467D+02  0.546322D+01  0.106353D+01  0.271339D+02 -0.267478D+01
      2  -0.136764D+02 -0.595279D+01  0.270344D+01 -0.117993D+02  0.468788D+01
      3  -0.158703D+02  0.489571D+00 -0.376697D+01 -0.153346D+02 -0.201310D+01
      4   0.720531D+01 -0.124460D+02  0.150489D+02 -0.259698D+01  0.107524D+02
      5   0.526277D+01  0.168930D+02 -0.103942D+02  0.863053D+01 -0.664180D+01
      6  -0.814323D-01 -0.290018D+01  0.206002D+01  0.204562D+01  0.179343D+01
                81            82            83            84            85 
      1   0.170606D+02  0.362202D+01 -0.367630D+01  0.175116D+01 -0.196648D+01
      2   0.252111D+01  0.413850D+01  0.109272D+02 -0.278606D+01  0.101302D+02
      3  -0.195817D+02 -0.776053D+01 -0.725088D+01  0.103490D+01 -0.816375D+01
      4  -0.549109D+01  0.102495D+02  0.175878D+02 -0.341369D+01  0.165454D+02
      5  -0.138929D+02 -0.250523D+01 -0.482101D+01  0.379027D+01 -0.567060D+01
      6  -0.369747D+01 -0.249904D+01 -0.727307D+01  0.368837D+01 -0.791185D+01
                86            87            88            89            90 
      1  -0.233731D+02  0.690725D+01  0.254781D+01  0.695314D+00 -0.572991D+01
      2   0.448504D+02 -0.674962D+01 -0.760028D+00  0.379555D+01  0.177495D+01
      3  -0.214774D+02 -0.157625D+00 -0.178778D+01 -0.449086D+01  0.395496D+01
      4   0.307238D+02 -0.746091D+01  0.174741D+01  0.111802D+01  0.337030D+01
      5  -0.840731D+01  0.530121D+01  0.155524D+01  0.303924D+01 -0.204282D+01
      6  -0.212783D+02  0.118514D+02  0.170206D+01  0.667435D+01 -0.369829D+01
                91            92            93            94            95 
      1  -0.347021D+00 -0.659040D-01 -0.510704D+01 -0.278484D+01 -0.390226D+01
      2  -0.233895D+01  0.105605D+01 -0.334743D+01  0.226379D+01  0.196771D+01
      3   0.268597D+01 -0.990148D+00  0.845446D+01  0.521057D+00  0.193456D+01
      4  -0.991555D+00  0.208298D+01 -0.142409D+01  0.263724D+01  0.201689D+01
      5   0.200154D+01 -0.349161D+00  0.469394D+01  0.177651D+01 -0.186771D+01
      6   0.421203D+00  0.348773D+00 -0.342109D+01 -0.141798D+01 -0.777792D+00
                96            97            98            99           100 
      1  -0.420572D+01 -0.269286D+01  0.575954D+01 -0.318606D+02  0.670158D+01
      2  -0.644347D+01  0.105314D+00 -0.237481D+01 -0.214168D+02 -0.561263D+01
      3   0.106492D+02  0.258755D+01 -0.338472D+01  0.532774D+02 -0.108894D+01
      4  -0.184183D+01 -0.173232D+01 -0.303906D+01  0.856345D+00  0.289794D+01
      5  -0.230183D+01  0.609278D+01  0.136898D+01 -0.105058D+02  0.376419D+01
      6   0.498961D+01 -0.419765D+00  0.911072D+01 -0.163771D+02 -0.184614D+00
               101           102           103           104           105 
      1   0.213578D+01  0.634875D+01  0.399497D+01 -0.250391D+01  0.266309D+01
      2  -0.106369D+01 -0.201818D+01 -0.191148D+01  0.466285D+00  0.674230D+00
      3  -0.107210D+01 -0.433057D+01 -0.208350D+01  0.203762D+01 -0.333732D+01
      4   0.568708D+00  0.398234D+00  0.328324D+01 -0.276845D+01  0.252885D+01
      5   0.116770D+01  0.330680D+01  0.546976D+00  0.235803D+01 -0.467851D+01
      6  -0.845780D+00  0.436804D+00  0.139585D+01 -0.196809D+01  0.649649D+01
               106           107           108           109           110 
      1   0.735249D+01  0.146302D+01 -0.119870D+02  0.774649D+02  0.190217D+02
      2  -0.111543D+02  0.391744D+00 -0.218980D+02 -0.379010D+02 -0.882481D+01
      3   0.380185D+01 -0.185476D+01  0.338850D+02 -0.395639D+02 -0.101969D+02
      4  -0.146243D+01  0.655867D+01 -0.270928D+01  0.226189D+02  0.157793D+02
      5   0.195092D+02 -0.329656D+01  0.465093D+02  0.684860D+01  0.245192D+01
      6  -0.192412D+01  0.610096D+01 -0.681121D+01  0.275453D+01  0.159756D+01
               111           112           113           114           115 
      1   0.220512D+01  0.320831D+02  0.113104D+02  0.129298D+01 -0.145126D+02
      2  -0.248716D+01 -0.142477D+02 -0.234438D+01 -0.158041D+01  0.585146D+01
      3   0.282039D+00 -0.178354D+02 -0.896601D+01  0.287433D+00  0.866116D+01
      4   0.161150D+01  0.174510D+02  0.115015D+02 -0.713628D+00 -0.333310D+01
      5   0.105332D+02  0.404706D+01 -0.791475D+00  0.452759D+01  0.110085D+02
      6   0.704629D+00  0.176715D+01  0.958094D+00  0.177842D+01  0.330502D+00
               116           117           118           119           120 
      1  -0.260831D+01  0.583047D+01 -0.342191D+01 -0.971892D+01  0.222994D+01
      2   0.105248D+01 -0.546275D+01  0.380394D+01  0.141285D+02 -0.253619D+01
      3   0.155583D+01 -0.367720D+00 -0.382023D+00 -0.440961D+01  0.306247D+00
      4  -0.515418D+01  0.214622D+01  0.257151D+01 -0.302608D+01  0.196430D+01
      5   0.217844D+01  0.166981D+01 -0.524851D+00  0.318522D+01  0.303051D+00
      6   0.172047D+01 -0.859526D+00 -0.134816D+01 -0.303545D+01  0.187182D+01
               121           122           123           124           125 
      1  -0.628575D+01 -0.251041D+02  0.476991D+01  0.375824D+01  0.106443D+02
      2   0.507245D+01  0.395230D+02 -0.632667D+01 -0.274250D+01 -0.127792D+02
      3   0.121331D+01 -0.144189D+02  0.155676D+01 -0.101575D+01  0.213487D+01
      4   0.476008D+01 -0.199292D+02  0.148112D+01  0.946415D+00  0.504363D+01
      5   0.187281D+01  0.282325D+01 -0.540049D+01  0.385785D+01 -0.483960D+01
      6  -0.147994D+01 -0.616555D+01  0.742080D+01 -0.754165D+00  0.894093D+01
               126           127           128           129           130 
      1  -0.400212D+01  0.168580D+02 -0.425037D+01 -0.636823D+01 -0.375087D+00
      2   0.384514D+01 -0.102678D+02  0.139296D+01  0.455475D+01 -0.138285D+01
      3   0.156972D+00 -0.659028D+01  0.285740D+01  0.181348D+01  0.175794D+01
      4  -0.390565D+01 -0.139334D+02  0.116014D+02  0.116284D+02  0.946548D+01
      5   0.198886D+01 -0.170231D+02  0.105662D+02  0.194451D+02  0.595042D+01
      6  -0.446045D+01  0.814062D+01 -0.723013D+01 -0.906710D+01 -0.561914D+01
               131           132           133           134           135 
      1  -0.228493D+01  0.658934D+00 -0.125025D+02  0.263961D+01  0.332072D+01
      2   0.584892D+01  0.132413D+01  0.860262D+01 -0.494412D-01 -0.100341D+02
      3  -0.356399D+01 -0.198307D+01  0.389992D+01 -0.259017D+01  0.671334D+01
      4  -0.129923D+02 -0.885519D+01  0.177995D+02 -0.165560D+02 -0.163906D+02
      5  -0.848144D+01 -0.655761D+01  0.233179D+02 -0.153175D+02 -0.301619D+02
      6   0.675395D+01  0.829884D+01 -0.125121D+02  0.135659D+02  0.179604D+02
               136           137           138           139           140 
      1  -0.347990D+00  0.652489D-01 -0.511216D+01  0.278613D+01 -0.390258D+01
      2  -0.233896D+01 -0.105446D+01 -0.335290D+01 -0.226226D+01  0.196603D+01
      3   0.268695D+01  0.989207D+00  0.846506D+01 -0.523870D+00  0.193655D+01
      4   0.991915D+00  0.208144D+01  0.142335D+01  0.263733D+01 -0.201538D+01
      5   0.200523D+01  0.348642D+00  0.469303D+01 -0.177656D+01 -0.186729D+01
      6  -0.421535D+00  0.349771D+00  0.342207D+01 -0.141777D+01  0.775190D+00
               141           142           143           144           145 
      1   0.421035D+01 -0.269672D+01 -0.575336D+01 -0.318594D+02  0.362232D+01
      2   0.644447D+01  0.100593D+00  0.237619D+01 -0.214163D+02  0.413722D+01
      3  -0.106548D+02  0.259613D+01  0.337716D+01  0.532757D+02 -0.775954D+01
      4  -0.184186D+01  0.173079D+01 -0.303712D+01 -0.852815D+00 -0.102504D+02
      5   0.230113D+01  0.609017D+01 -0.136648D+01 -0.104934D+02 -0.250869D+01
      6   0.499049D+01  0.422637D+00  0.910664D+01  0.163605D+02  0.250263D+01
               146           147           148           149           150 
      1   0.367716D+01  0.175162D+01  0.196612D+01 -0.233695D+02 -0.691150D+01
      2  -0.109245D+02 -0.278702D+01 -0.101254D+02  0.448333D+02  0.675401D+01
      3   0.724731D+01  0.103541D+01  0.815931D+01 -0.214638D+02  0.157492D+00
      4   0.175860D+02  0.341756D+01  0.165422D+02 -0.307143D+02 -0.746539D+01
      5   0.482463D+01  0.379219D+01  0.567372D+01 -0.841205D+01 -0.530414D+01
      6  -0.727680D+01 -0.369107D+01 -0.791587D+01  0.212879D+02  0.118566D+02
               151           152           153           154           155 
      1   0.254672D+01 -0.700603D+00 -0.573188D+01 -0.341664D+01  0.970829D+01
      2  -0.761813D+00 -0.378614D+01  0.177444D+01  0.379765D+01 -0.141131D+02
      3  -0.178491D+01  0.448674D+01  0.395744D+01 -0.381007D+00  0.440479D+01
      4  -0.174361D+01  0.111057D+01 -0.337083D+01 -0.257034D+01 -0.302189D+01
      5   0.155564D+01 -0.304025D+01 -0.204472D+01 -0.524673D+00 -0.318592D+01
      6  -0.170308D+01  0.667691D+01  0.370227D+01  0.135061D+01 -0.304161D+01
               156           157           158           159           160 
      1   0.223477D+01  0.627921D+01 -0.250955D+02 -0.478030D+01  0.376232D+01
      2  -0.254041D+01 -0.506309D+01  0.395117D+02  0.633942D+01 -0.274409D+01
      3   0.305640D+00 -0.121612D+01 -0.144162D+02 -0.155912D+01 -0.101822D+01
      4  -0.196467D+01  0.476416D+01  0.199370D+02  0.148970D+01 -0.942459D+00
      5   0.302228D+00 -0.187141D+01  0.283176D+01  0.540407D+01  0.385710D+01
      6  -0.187257D+01 -0.148070D+01  0.618538D+01  0.742679D+01  0.754029D+00
               161           162           163           164           165 
      1  -0.106557D+02 -0.401028D+01  0.168402D+02  0.424535D+01 -0.636072D+01
      2   0.127937D+02  0.385150D+01 -0.102555D+02 -0.138776D+01  0.454512D+01
      3  -0.213804D+01  0.158778D+00 -0.658465D+01 -0.285760D+01  0.181560D+01
      4   0.505697D+01  0.391187D+01  0.139248D+02  0.116007D+02 -0.116265D+02
      5   0.484648D+01  0.199614D+01 -0.170079D+02 -0.105649D+02  0.194323D+02
      6   0.895103D+01  0.447105D+01 -0.813694D+01 -0.722963D+01  0.906288D+01
               166           167           168           169           170 
      1   0.375376D+00 -0.228788D+01 -0.658472D+00 -0.124957D+02 -0.263562D+01
      2   0.138476D+01  0.585461D+01 -0.132480D+01  0.859298D+01  0.449282D-01
      3  -0.176013D+01 -0.356672D+01  0.198327D+01  0.390274D+01  0.259070D+01
      4   0.946883D+01  0.130020D+02 -0.885759D+01 -0.177997D+02 -0.165619D+02
      5  -0.595272D+01 -0.848357D+01  0.656284D+01  0.233078D+02  0.153231D+02
      6  -0.562092D+01 -0.675855D+01  0.830382D+01  0.125114D+02  0.135735D+02
               171           172           173           174           175 
      1   0.330950D+01  0.670877D+01 -0.213978D+01  0.634523D+01 -0.399843D+01
      2  -0.100227D+02 -0.561842D+01  0.106545D+01 -0.202395D+01  0.191399D+01
      3   0.671323D+01 -0.109035D+01  0.107434D+01 -0.432128D+01  0.208445D+01
      4   0.163948D+02 -0.289943D+01  0.572200D+00 -0.397900D+00  0.328515D+01
      5  -0.301597D+02  0.377018D+01 -0.116687D+01  0.332048D+01 -0.549236D+00
      6  -0.179673D+02  0.183695D+00 -0.843822D+00 -0.433801D+00  0.139686D+01
               176           177           178           179           180 
      1  -0.250017D+01 -0.265636D+01  0.735540D+01 -0.145683D+01 -0.119685D+02
      2   0.463997D+00 -0.672368D+00 -0.111641D+02 -0.389201D+00 -0.219095D+02
      3   0.203617D+01  0.332872D+01  0.380871D+01  0.184603D+01  0.338779D+02
      4   0.276517D+01  0.252932D+01  0.145888D+01  0.655990D+01  0.269773D+01
      5   0.235869D+01  0.466613D+01  0.195287D+02  0.328487D+01  0.465290D+02
      6   0.196276D+01  0.649305D+01  0.192106D+01  0.609818D+01  0.679398D+01
               181           182           183           184           185 
      1   0.774540D+02 -0.190258D+02  0.218253D+01 -0.320821D+02  0.113117D+02
      2  -0.378919D+02  0.882513D+01 -0.247477D+01  0.142449D+02 -0.234378D+01
      3  -0.395621D+02  0.102007D+02  0.292239D+00  0.178373D+02 -0.896791D+01
      4  -0.226258D+02  0.157819D+02 -0.160385D+01  0.174548D+02 -0.115030D+02
      5   0.681598D+01 -0.244341D+01  0.105296D+02 -0.403301D+01 -0.798471D+00
      6  -0.274937D+01  0.159529D+01 -0.704013D+00  0.176295D+01 -0.954618D+00
               186           187           188           189 
      1  -0.128438D+01 -0.145426D+02  0.261680D+01  0.583455D+01
      2   0.157656D+01  0.586699D+01 -0.105591D+01 -0.546428D+01
      3  -0.292179D+00  0.867558D+01 -0.156089D+01 -0.370271D+00
      4  -0.719944D+00  0.334374D+01 -0.516241D+01 -0.214996D+01
      5  -0.452783D+01  0.110123D+02 -0.218198D+01  0.165885D+01
      6   0.177830D+01 -0.330848D+00  0.172027D+01  0.859869D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654523D-03      0.166363D-02      0.554928D-02
   x         -0.225010D-04     -0.571917D-04     -0.190771D-03
   y          0.653948D-03      0.166217D-02      0.554440D-02
   z         -0.157066D-04     -0.399221D-04     -0.133166D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.100344D+03      0.148694D+02      0.165444D+02
   aniso      0.242171D+02      0.358861D+01      0.399287D+01
   xx         0.116206D+03      0.172199D+02      0.191597D+02
   yx        -0.255793D-03     -0.379047D-04     -0.421746D-04
   yy         0.947191D+02      0.140359D+02      0.156171D+02
   zx         0.121317D+01      0.179773D+00      0.200024D+00
   zy         0.246040D-03      0.364594D-04      0.405665D-04
   zz         0.901064D+02      0.133524D+02      0.148565D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.105694D+03      0.156623D+02      0.174266D+02
   aniso      0.261242D+02      0.387120D+01      0.430729D+01
   xx         0.122740D+03      0.181881D+02      0.202370D+02
   yx        -0.383919D-03     -0.568909D-04     -0.632997D-04
   yy         0.998373D+02      0.147944D+02      0.164609D+02
   zx         0.157439D+01      0.233300D+00      0.259582D+00
   zy         0.119494D-03      0.177072D-04      0.197019D-04
   zz         0.945060D+02      0.140043D+02      0.155819D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.60971765          2.09535044          2.13384642
     6          2.54110098          0.40976533          0.06114975
     6          0.03923479         -0.02527079          1.11222308
     6          4.83707838         -1.07291822         -0.50382410
     6          3.69407583          0.70445291         -2.46629316
     6         -1.45867472         -2.19322439          2.14345246
     6         -2.53102170         -0.41606101          0.22084574
     6         -3.85956152         -0.59666367         -2.23003253
     6         -4.85921930          1.08648272         -0.11242284
     1          2.43261392          1.87711849          3.99773469
     1          1.06346297          4.01098995          1.65049683
     1          4.63986261         -3.08642098         -0.81564957
     1          6.60238006         -0.51354862          0.36734977
     1          2.74471509         -0.13929110         -4.07072456
     1          4.70819114          2.43208515         -2.88493331
     1         -0.95039067         -4.08375492          1.53580510
     1         -2.14824446         -2.06196589          4.06858086
     1         -3.02473668          0.32183639         -3.85689492
     1         -4.90276150         -2.30530289         -2.65510009
     1         -4.68200186          3.11256216         -0.34461179
     1         -6.55948409          0.48421184          0.85428220

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654523D-03      0.166363D-02      0.554928D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.654523D-03      0.166363D-02      0.554928D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.100344D+03      0.148694D+02      0.165444D+02
   aniso      0.242171D+02      0.358861D+01      0.399287D+01
   xx         0.116231D+03      0.172237D+02      0.191640D+02
   yx        -0.295500D+00     -0.437885D-01     -0.487213D-01
   yy         0.900558D+02      0.133449D+02      0.148482D+02
   zx        -0.764710D+00     -0.113318D+00     -0.126084D+00
   zy        -0.961984D-01     -0.142551D-01     -0.158610D-01
   zz         0.947438D+02      0.140396D+02      0.156211D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.105694D+03      0.156623D+02      0.174266D+02
   aniso      0.261242D+02      0.387120D+01      0.430729D+01
   xx         0.122786D+03      0.181950D+02      0.202447D+02
   yx        -0.581076D+00     -0.861066D-01     -0.958065D-01
   yy         0.944330D+02      0.139935D+02      0.155699D+02
   zx        -0.821949D+00     -0.121800D+00     -0.135521D+00
   zy        -0.102916D+00     -0.152506D-01     -0.169686D-01
   zz         0.998639D+02      0.147983D+02      0.164653D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K10-29-01\Freq\RLC-PBEPBE\Gen\C9H12\PIERPA\16-Jul-2021\0\
 \#P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tig
 ht) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=02600
 00000,3/108=0260000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/13
 1=-1)\\ROA calculations.\\0,1\C,0.850997,1.132902,-1.10565\C,1.349583,
 0.074712,-0.171197\C,0.000033,0.589081,-0.000049\C,2.545757,-0.163361,
 0.661658\C,2.010439,-1.243659,-0.273932\C,-0.8508,1.13255,1.105829\C,-
 1.349503,0.074646,0.171128\C,-2.010462,-1.243726,0.273569\C,-2.545996,
 -0.163032,-0.661407\H,1.247956,2.136318,-0.998967\H,0.606749,0.844078,
 -2.122271\H,2.409697,-0.307621,1.726593\H,3.473352,0.323369,0.386964\H
 ,1.522142,-2.099447,0.175269\H,2.586225,-1.466945,-1.163587\H,-0.60630
 6,0.843541,2.122338\H,-1.24784,2.135964,0.99944\H,-1.522526,-2.099396,
 -0.176207\H,-2.585918,-1.467289,1.163367\H,-2.410375,-0.306923,-1.7264
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 ... SUBJECTS WHICH DISCLOSE THEIR FULL POWER, MEANING AND BEAUTY AS SOON
 AS THEY ARE PRESENTED TO THE MIND HAVE VERY LITTLE OF THOSE QUALITIES
 TO DISCLOSE.
                           -- CHARLES DUTTON (1882)
 Job cpu time:       0 days  8 hours 59 minutes 19.3 seconds.
 Elapsed time:       0 days  1 hours  7 minutes 56.6 seconds.
 File lengths (MBytes):  RWF=    267 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 20:22:02 2021.
